N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide

C15H12N4O2S — CID 110785573

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12N4O2S/c16-8-12-3-1-2-4-15(12)22(20,21)19-9-11-5-6-13-14(7-11)18-10-17-13/h1-7,10,19H,9H2,(H,17,18)
InChIKeyKEGHLDUABJQWRI-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.91
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide

N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide (PubChem CID 110785573) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide
PubChem CID110785573
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12N4O2S/c16-8-12-3-1-2-4-15(12)22(20,21)19-9-11-5-6-13-14(7-11)18-10-17-13/h1-7,10,19H,9H2,(H,17,18)
InChIKeyKEGHLDUABJQWRI-UHFFFAOYSA-N
XLogP1.91
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
CID 110781168
2-cyano-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110738480
2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734145
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791145
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide (CID 110785573) is N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide?
The InChIKey is KEGHLDUABJQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-8-12-3-1-2-4-15(12)22(20,21)19-9-11-5-6-13-14(7-11)18-10-17-13/h1-7,10,19H,9H2,(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide?
N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 110785573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).