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188623-88-3 | Benzenesulfonamide, 4-(1H-benzimidazol-2-ylamino)-N-2-pyrimidinyl-
CAS No: 188623-88-3 Catalog No: AG002H2K MDL No:
Product Description
Catalog Number:
AG002H2K
Chemical Name:
Benzenesulfonamide, 4-(1H-benzimidazol-2-ylamino)-N-2-pyrimidinyl-
CAS Number:
188623-88-3
Molecular Formula:
C17H14N6O2S
Molecular Weight:
366.3971
IUPAC Name:
4-(1H-benzimidazol-2-ylamino)-N-pyrimidin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C17H14N6O2S/c24-26(25,23-16-18-10-3-11-19-16)13-8-6-12(7-9-13)20-17-21-14-4-1-2-5-15(14)22-17/h1-11H,(H,18,19,23)(H2,20,21,22)
InChI Key:
AHJDFVUXFSCXAW-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)Nc1nc2c([nH]1)cccc2)Nc1ncccn1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.09g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.399g/mol
Monoisotopic Mass:
366.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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