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89725-33-7 | 1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(3-phenylpropyl)-
CAS No: 89725-33-7 Catalog No: AG0042CI MDL No:
Product Description
Catalog Number:
AG0042CI
Chemical Name:
1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(3-phenylpropyl)-
CAS Number:
89725-33-7
Molecular Formula:
C16H16ClN3O2S
Molecular Weight:
349.8351
IUPAC Name:
6-chloro-2-(3-phenylpropyl)-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C16H16ClN3O2S/c17-12-9-13-14(10-15(12)23(18,21)22)20-16(19-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H2,18,21,22)
InChI Key:
ODNHSTVHVQCZSV-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]c(nc2cc1S(=O)(=O)N)CCCc1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.833g/mol
Monoisotopic Mass:
349.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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