N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide

C19H23N3O3S — CID 169371936

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)20-18-5-3-4-6-19(18)22-13-11-21(12-14-22)16(2)23/h3-10,20H,11-14H2,1-2H3
InChIKeyPKRPCPPRVAPRDR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371936) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371936
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)20-18-5-3-4-6-19(18)22-13-11-21(12-14-22)16(2)23/h3-10,20H,11-14H2,1-2H3
InChIKeyPKRPCPPRVAPRDR-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)-2-bromo-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371889
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
3-methyl-5-[[2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]sulfamoyl]-1-benzofuran-2-carboxylic acid
CID 175361834
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 172808620

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 169371936) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide is CC(=O)N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PKRPCPPRVAPRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)20-18-5-3-4-6-19(18)22-13-11-21(12-14-22)16(2)23/h3-10,20H,11-14H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).