N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide

C24H31N3O3S — CID 55585013

IUPACN-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H31N3O3S/c1-19-11-12-22(31(29,30)25-18-20-7-3-2-4-8-20)17-23(19)24(28)27-15-13-26(14-16-27)21-9-5-6-10-21/h2-4,7-8,11-12,17,21,25H,5-6,9-10,13-16,18H2,1H3
InChIKeyBOPBWIWSYXXNJO-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.17
Rot. Bonds6

About N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide

N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 55585013) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
PubChem CID55585013
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H31N3O3S/c1-19-11-12-22(31(29,30)25-18-20-7-3-2-4-8-20)17-23(19)24(28)27-15-13-26(14-16-27)21-9-5-6-10-21/h2-4,7-8,11-12,17,21,25H,5-6,9-10,13-16,18H2,1H3
InChIKeyBOPBWIWSYXXNJO-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
CID 119375100
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31567043
3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 55583889
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
4-methyl-N-(2-methylphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56550836
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
5-(benzylsulfamoyl)-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388373

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide (CID 55585013) is N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is BOPBWIWSYXXNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-19-11-12-22(31(29,30)25-18-20-7-3-2-4-8-20)17-23(19)24(28)27-15-13-26(14-16-27)21-9-5-6-10-21/h2-4,7-8,11-12,17,21,25H,5-6,9-10,13-16,18H2,1H3.
What are the key properties of N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 441.60 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 55585013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).