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

C17H16ClN3O3S — CID 52944687

IUPAC2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-12(18)16(9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)
InChIKeyTYAOADJQLFNTDS-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.78
Rot. Bonds5

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

2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 52944687) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID52944687
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-12(18)16(9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)
InChIKeyTYAOADJQLFNTDS-UHFFFAOYSA-N
XLogP2.78
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.78
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-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide (CID 52944687) is 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide is CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is TYAOADJQLFNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-12(18)16(9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24).
What are the key properties of 2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(2-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 2.78, 5 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-ethylbenzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 52944687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).