N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

C24H35N3O4S — CID 55468843

IUPACN-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C24H35N3O4S/c1-25(21-7-3-2-4-8-21)32(30,31)22-11-9-19(10-12-22)23(28)27-17-13-20(14-18-27)24(29)26-15-5-6-16-26/h9-12,20-21H,2-8,13-18H2,1H3
InChIKeyIFIPUBMGOJMOGH-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.11
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55468843) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55468843
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC NameN-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C24H35N3O4S/c1-25(21-7-3-2-4-8-21)32(30,31)22-11-9-19(10-12-22)23(28)27-17-13-20(14-18-27)24(29)26-15-5-6-16-26/h9-12,20-21H,2-8,13-18H2,1H3
InChIKeyIFIPUBMGOJMOGH-UHFFFAOYSA-N
XLogP3.11
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 55584050
N-cyclohexyl-N-methyl-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55406002
1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 43066542
(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 27745975
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 112767085
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
N-cyclohexyl-N-methyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 43042174
cyclopropyl-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806526
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (CID 55468843) is N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is IFIPUBMGOJMOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-25(21-7-3-2-4-8-21)32(30,31)22-11-9-19(10-12-22)23(28)27-17-13-20(14-18-27)24(29)26-15-5-6-16-26/h9-12,20-21H,2-8,13-18H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 461.63 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55468843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).