3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C24H31N3O3S — CID 55583889

IUPAC3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C4CCCC4)CC3)c2)c1
InChIInChI=1S/C24H31N3O3S/c1-18-6-5-7-20(16-18)25-31(29,30)22-11-10-19(2)23(17-22)24(28)27-14-12-26(13-15-27)21-8-3-4-9-21/h5-7,10-11,16-17,21,25H,3-4,8-9,12-15H2,1-2H3
InChIKeyGRWOZVYBMWTQFJ-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide

3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 55583889) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID55583889
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C4CCCC4)CC3)c2)c1
InChIInChI=1S/C24H31N3O3S/c1-18-6-5-7-20(16-18)25-31(29,30)22-11-10-19(2)23(17-22)24(28)27-14-12-26(13-15-27)21-8-3-4-9-21/h5-7,10-11,16-17,21,25H,3-4,8-9,12-15H2,1-2H3
InChIKeyGRWOZVYBMWTQFJ-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 4096134
4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43017867
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 55585013
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938
4-methyl-N-(2-methylphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56550836
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 41399101
4-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71249741
3-fluoro-4-methyl-N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 56544184
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 55583889) is 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C4CCCC4)CC3)c2)c1.
What is the InChIKey of 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is GRWOZVYBMWTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-6-5-7-20(16-18)25-31(29,30)22-11-10-19(2)23(17-22)24(28)27-14-12-26(13-15-27)21-8-3-4-9-21/h5-7,10-11,16-17,21,25H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 441.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 55583889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).