4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide

C18H28N2O3S — CID 110403598

IUPAC4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(CC(C)C)N2CCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14(2)12-17(20-10-4-5-11-20)13-19-24(22,23)18-8-6-16(7-9-18)15(3)21/h6-9,14,17,19H,4-5,10-13H2,1-3H3
InChIKeyQFQFWLSPIXMUER-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.68
Rot. Bonds8

About 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide

4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide (PubChem CID 110403598) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
PubChem CID110403598
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(CC(C)C)N2CCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14(2)12-17(20-10-4-5-11-20)13-19-24(22,23)18-8-6-16(7-9-18)15(3)21/h6-9,14,17,19H,4-5,10-13H2,1-3H3
InChIKeyQFQFWLSPIXMUER-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
N-[4-[(4-methyl-2-morpholin-4-ylpentyl)sulfamoyl]phenyl]acetamide
CID 110403337
4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
N-(4-methyl-2-piperidin-1-ylpentyl)-3-nitrobenzenesulfonamide
CID 110403448
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403443
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(phenylsulfamoyl)benzamide
CID 43044286
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide (CID 110403598) is 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(CC(C)C)N2CCCC2)cc1.
What is the InChIKey of 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide?
The InChIKey is QFQFWLSPIXMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)12-17(20-10-4-5-11-20)13-19-24(22,23)18-8-6-16(7-9-18)15(3)21/h6-9,14,17,19H,4-5,10-13H2,1-3H3.
What are the key properties of 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide?
4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 110403598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).