N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide

C23H35N3O3S — CID 55584050

IUPACN-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O3S/c1-24(20-7-3-2-4-8-20)30(28,29)22-13-11-19(12-14-22)23(27)26-17-15-25(16-18-26)21-9-5-6-10-21/h11-14,20-21H,2-10,15-18H2,1H3
InChIKeyLHNKQKZFCMDUFP-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.34
Rot. Bonds5

About N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide

N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide (PubChem CID 55584050) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
PubChem CID55584050
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC NameN-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O3S/c1-24(20-7-3-2-4-8-20)30(28,29)22-13-11-19(12-14-22)23(27)26-17-15-25(16-18-26)21-9-5-6-10-21/h11-14,20-21H,2-10,15-18H2,1H3
InChIKeyLHNKQKZFCMDUFP-UHFFFAOYSA-N
XLogP3.34
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
N-cyclohexyl-N-methyl-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55406002
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
N-cyclohexyl-N-methyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 43042174
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353
N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 32769750
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 43066542
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 23856941

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide (CID 55584050) is N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The InChIKey is LHNKQKZFCMDUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-24(20-7-3-2-4-8-20)30(28,29)22-13-11-19(12-14-22)23(27)26-17-15-25(16-18-26)21-9-5-6-10-21/h11-14,20-21H,2-10,15-18H2,1H3.
What are the key properties of N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide has a molecular weight of 433.62 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 55584050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).