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

C15H18N2O3S — CID 110789307

IUPAC4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-12(18)14-3-5-15(6-4-14)21(19,20)16-9-7-13-8-10-17(2)11-13/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyZPINVGXTECVFFQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds6

About 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789307) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789307
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-12(18)14-3-5-15(6-4-14)21(19,20)16-9-7-13-8-10-17(2)11-13/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyZPINVGXTECVFFQ-UHFFFAOYSA-N
XLogP1.75
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789250
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789248
4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710698

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789307) is 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ZPINVGXTECVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12(18)14-3-5-15(6-4-14)21(19,20)16-9-7-13-8-10-17(2)11-13/h3-6,8,10-11,16H,7,9H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).