3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide

C17H17N3O3S — CID 110785887

IUPAC3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C17H17N3O3S/c1-12(21)14-4-3-5-15(9-14)24(22,23)19-10-13-6-7-17-16(8-13)18-11-20(17)2/h3-9,11,19H,10H2,1-2H3
InChIKeyBFSWBAHYWKDFSD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.25
Rot. Bonds5

About 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide

3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110785887) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
PubChem CID110785887
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C17H17N3O3S/c1-12(21)14-4-3-5-15(9-14)24(22,23)19-10-13-6-7-17-16(8-13)18-11-20(17)2/h3-9,11,19H,10H2,1-2H3
InChIKeyBFSWBAHYWKDFSD-UHFFFAOYSA-N
XLogP2.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide (CID 110785887) is 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)ncn3C)c1.
What is the InChIKey of 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is BFSWBAHYWKDFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12(21)14-4-3-5-15(9-14)24(22,23)19-10-13-6-7-17-16(8-13)18-11-20(17)2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110785887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).