2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide

C16H14ClN3O4S — CID 52940691

IUPAC2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)Cn2c(CO)nc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)
InChIKeyFDKWBNMTKPSTKP-UHFFFAOYSA-N
MW379.83 g/mol
LogP1.71
Rot. Bonds5

About 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide

2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide (PubChem CID 52940691) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide
PubChem CID52940691
Molecular FormulaC16H14ClN3O4S
Molecular Weight379.83 g/mol
Exact Mass379.04
IUPAC Name2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)Cn2c(CO)nc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)
InChIKeyFDKWBNMTKPSTKP-UHFFFAOYSA-N
XLogP1.71
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1h-Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide
CID 50904886
4-[2-(Benzimidazol-1-Yl)ethanoyl]-2-Chloranyl-Benzenesulfonamide
CID 127047846
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
5-[2-(Benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide
CID 126508232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide (CID 52940691) is 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)Cn2c(CO)nc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
The InChIKey is FDKWBNMTKPSTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24).
What are the key properties of 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide has a molecular weight of 379.83 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[2-(hydroxymethyl)benzimidazol-1-yl]acetyl]benzenesulfonamide is sourced from PubChem (CID 52940691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).