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10079-93-3 | Benzenesulfonamide, 4-[2-[[(phenylamino)thioxomethyl]amino]ethyl]-
CAS No: 10079-93-3 Catalog No: AG0002WI MDL No:
Product Description
Catalog Number:
AG0002WI
Chemical Name:
Benzenesulfonamide, 4-[2-[[(phenylamino)thioxomethyl]amino]ethyl]-
CAS Number:
10079-93-3
Molecular Formula:
C15H17N3O2S2
Molecular Weight:
335.4444
IUPAC Name:
1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
InChI:
InChI=1S/C15H17N3O2S2/c16-22(19,20)14-8-6-12(7-9-14)10-11-17-15(21)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,19,20)(H2,17,18,21)
InChI Key:
QOWRADOKRZQCAQ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
335.44g/mol
Monoisotopic Mass:
335.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrases as targets for medicinal chemistry. | Bioorganic & medicinal chemistry 20070701 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozymes IX and XII with a library of aromatic and heteroaromatic sulfonamides. | Bioorganic & medicinal chemistry letters 20051101 |
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