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Home > Sulfanilamide > 380436-87-3
380436-87-3 | N,N-dimethyl-3-[4-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS No: 380436-87-3 Catalog No: AG019HEK MDL No:MFCD03476325
Product Description
Catalog Number:
AG019HEK
Chemical Name:
N,N-dimethyl-3-[4-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS Number:
380436-87-3
Molecular Formula:
C17H18N4O2S2
Molecular Weight:
374.4804
MDL Number:
MFCD03476325
IUPAC Name:
N,N-dimethyl-3-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide
InChI:
InChI=1S/C17H18N4O2S2/c1-12-6-4-8-14(10-12)21-16(18-19-17(21)24)13-7-5-9-15(11-13)25(22,23)20(2)3/h4-11H,1-3H3,(H,19,24)
InChI Key:
BYYHMAPQWKPWFT-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1c(S)nnc1c1cccc(c1)S(=O)(=O)N(C)C
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.087g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.477g/mol
Monoisotopic Mass:
374.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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