4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide

C16H15N3O3S — CID 78319189

IUPAC4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1CC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
InChIKeyGTMVXOPJGRUYBM-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.88
Rot. Bonds4

About 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide

4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 78319189) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID78319189
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1CC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
InChIKeyGTMVXOPJGRUYBM-UHFFFAOYSA-N
XLogP1.88
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide (CID 78319189) is 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide is Cc1nc2ccccc2n1CC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is GTMVXOPJGRUYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22).
What are the key properties of 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylbenzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 78319189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).