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

C16H14ClN3O3S — CID 52943104

IUPAC2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-12(17)16(8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
InChIKeyTTXDYSSNPNOXIT-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.53
Rot. Bonds4

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

2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 52943104) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID52943104
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-12(17)16(8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
InChIKeyTTXDYSSNPNOXIT-UHFFFAOYSA-N
XLogP2.53
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide (CID 52943104) is 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide is Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is TTXDYSSNPNOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-12(17)16(8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23).
What are the key properties of 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 52943104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).