2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide

C17H16ClN3O3S — CID 126509934

IUPAC2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCc1cc2ncn(CC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2cc1C
InChIInChI=1S/C17H16ClN3O3S/c1-10-5-14-15(6-11(10)2)21(9-20-14)8-16(22)12-3-4-13(18)17(7-12)25(19,23)24/h3-7,9H,8H2,1-2H3,(H2,19,23,24)
InChIKeyFOUZNIKKWIYYLK-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide

2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 126509934) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID126509934
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCc1cc2ncn(CC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2cc1C
InChIInChI=1S/C17H16ClN3O3S/c1-10-5-14-15(6-11(10)2)21(9-20-14)8-16(22)12-3-4-13(18)17(7-12)25(19,23)24/h3-7,9H,8H2,1-2H3,(H2,19,23,24)
InChIKeyFOUZNIKKWIYYLK-UHFFFAOYSA-N
XLogP2.84
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.84
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-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide (CID 126509934) is 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide is Cc1cc2ncn(CC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2cc1C.
What is the InChIKey of 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is FOUZNIKKWIYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-10-5-14-15(6-11(10)2)21(9-20-14)8-16(22)12-3-4-13(18)17(7-12)25(19,23)24/h3-7,9H,8H2,1-2H3,(H2,19,23,24).
What are the key properties of 2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 2.84, 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-(5,6-dimethylbenzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 126509934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).