N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide

C15H13N3O3S — CID 2836732

IUPACN-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3S/c1-11(19)17-12-6-8-13(9-7-12)22(20,21)18-10-16-14-4-2-3-5-15(14)18/h2-10H,1H3,(H,17,19)
InChIKeyVKHBANSWZNQPDL-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.23
Rot. Bonds3

About N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide

N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide (PubChem CID 2836732) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
PubChem CID2836732
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3S/c1-11(19)17-12-6-8-13(9-7-12)22(20,21)18-10-16-14-4-2-3-5-15(14)18/h2-10H,1H3,(H,17,19)
InChIKeyVKHBANSWZNQPDL-UHFFFAOYSA-N
XLogP2.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide (CID 2836732) is N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide?
The InChIKey is VKHBANSWZNQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-11(19)17-12-6-8-13(9-7-12)22(20,21)18-10-16-14-4-2-3-5-15(14)18/h2-10H,1H3,(H,17,19).
What are the key properties of N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide?
N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 2836732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).