4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide

C15H12ClN3O3S — CID 127047846

IUPAC4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1Cl
InChIInChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
InChIKeySWJLGRBJIPSPCI-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.22
Rot. Bonds4

About 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide

4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (PubChem CID 127047846) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
PubChem CID127047846
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1Cl
InChIInChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
InChIKeySWJLGRBJIPSPCI-UHFFFAOYSA-N
XLogP2.22
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1h-Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide
CID 50904886
4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide
CID 127045752
2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide
CID 52940691
2-Chloro-5-[(2-isobutyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52940836
5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
CID 52941064
2-Chloro-5-[(2-methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52943104
2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52944687
2-Chloro-5-[(2-propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52945953
2-Chloro-5-{[2-(methylsulfanyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide
CID 52948178
2-Chloro-5-[(2-isopropyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52949344
5-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
CID 52949626
carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 3
CID 127047625

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The IUPAC name of 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (CID 127047846) is 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1Cl.
What is the InChIKey of 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The InChIKey is SWJLGRBJIPSPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22).
What are the key properties of 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 127047846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).