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

C16H14ClN3O3S2 — CID 52948178

IUPAC2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H14ClN3O3S2/c1-24-16-19-12-4-2-3-5-13(12)20(16)9-14(21)10-6-7-11(17)15(8-10)25(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
InChIKeyYSDZWUSFFLGBDF-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.94
Rot. Bonds5

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

2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 52948178) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID52948178
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC Name2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H14ClN3O3S2/c1-24-16-19-12-4-2-3-5-13(12)20(16)9-14(21)10-6-7-11(17)15(8-10)25(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
InChIKeyYSDZWUSFFLGBDF-UHFFFAOYSA-N
XLogP2.94
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.94
H-Bond Donors ≤ 51
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]benzenesulfonamide
CID 127045752
4-[2-(Benzimidazol-1-Yl)ethanoyl]-2-Chloranyl-Benzenesulfonamide
CID 127047846
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-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 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide (CID 52948178) is 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide is CSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is YSDZWUSFFLGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c1-24-16-19-12-4-2-3-5-13(12)20(16)9-14(21)10-6-7-11(17)15(8-10)25(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23).
What are the key properties of 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 395.89 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 52948178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).