4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide

C21H17N3O3S — CID 59191080

IUPAC4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14(25)15-10-12-16(13-11-15)28(26,27)24-18-7-3-2-6-17(18)21-22-19-8-4-5-9-20(19)23-21/h2-13,24H,1H3,(H,22,23)
InChIKeyFBHNGGKHRORQLA-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.23
Rot. Bonds5

About 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide

4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 59191080) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
PubChem CID59191080
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14(25)15-10-12-16(13-11-15)28(26,27)24-18-7-3-2-6-17(18)21-22-19-8-4-5-9-20(19)23-21/h2-13,24H,1H3,(H,22,23)
InChIKeyFBHNGGKHRORQLA-UHFFFAOYSA-N
XLogP4.23
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-butoxybenzenesulfonamide
CID 3797349
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]naphthalene-1-sulfonamide
CID 25047873
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78781336
(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 155125753
(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40839279
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618
4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 91442345
N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 139233189
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide (CID 59191080) is 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FBHNGGKHRORQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14(25)15-10-12-16(13-11-15)28(26,27)24-18-7-3-2-6-17(18)21-22-19-8-4-5-9-20(19)23-21/h2-13,24H,1H3,(H,22,23).
What are the key properties of 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59191080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).