3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide

C14H16N2O3S — CID 103710722

IUPAC3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccn2C)c1
InChIInChI=1S/C14H16N2O3S/c1-11(17)12-5-3-7-14(9-12)20(18,19)15-10-13-6-4-8-16(13)2/h3-9,15H,10H2,1-2H3
InChIKeyHWVSMGFWKUKWLT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.71
Rot. Bonds5

About 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide

3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (PubChem CID 103710722) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
PubChem CID103710722
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccn2C)c1
InChIInChI=1S/C14H16N2O3S/c1-11(17)12-5-3-7-14(9-12)20(18,19)15-10-13-6-4-8-16(13)2/h3-9,15H,10H2,1-2H3
InChIKeyHWVSMGFWKUKWLT-UHFFFAOYSA-N
XLogP1.71
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 103823772
4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710698
3-bromo-4-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 106546394
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (CID 103710722) is 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2cccn2C)c1.
What is the InChIKey of 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The InChIKey is HWVSMGFWKUKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11(17)12-5-3-7-14(9-12)20(18,19)15-10-13-6-4-8-16(13)2/h3-9,15H,10H2,1-2H3.
What are the key properties of 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103710722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).