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

C14H16N2O3S — CID 103710698

IUPAC4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccn2C)cc1
InChIInChI=1S/C14H16N2O3S/c1-11(17)12-5-7-14(8-6-12)20(18,19)15-10-13-4-3-9-16(13)2/h3-9,15H,10H2,1-2H3
InChIKeyZNTRLKOEVCAJRI-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.71
Rot. Bonds5

About 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide

4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (PubChem CID 103710698) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
PubChem CID103710698
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccn2C)cc1
InChIInChI=1S/C14H16N2O3S/c1-11(17)12-5-7-14(8-6-12)20(18,19)15-10-13-4-3-9-16(13)2/h3-9,15H,10H2,1-2H3
InChIKeyZNTRLKOEVCAJRI-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

3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722
4-(cyanomethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103721191
N-[(1-methylpyrrol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 103823772
3-bromo-4-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 106546394
4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3783005
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 106415843
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
4-acetyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 90569757
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (CID 103710698) is 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cccn2C)cc1.
What is the InChIKey of 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZNTRLKOEVCAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11(17)12-5-7-14(8-6-12)20(18,19)15-10-13-4-3-9-16(13)2/h3-9,15H,10H2,1-2H3.
What are the key properties of 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
4-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 4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103710698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).