3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide

C15H13N3O3S — CID 127047625

IUPAC3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
InChIKeyXGDKZWDANQETLY-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.57
Rot. Bonds4

About 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide

3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 127047625) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID127047625
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
InChIKeyXGDKZWDANQETLY-UHFFFAOYSA-N
XLogP1.57
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide (CID 127047625) is 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)Cn2cnc3ccccc32)c1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is XGDKZWDANQETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21).
What are the key properties of 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide?
3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 127047625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).