N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide

C18H27N3O3S — CID 119402234

IUPACN-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-20(16-5-3-2-4-6-16)25(23,24)17-9-7-15(8-10-17)18(22)21-13-11-19-12-14-21/h7-10,16,19H,2-6,11-14H2,1H3
InChIKeyCZFYHHBSLOJNQA-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.69
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide

N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119402234) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
PubChem CID119402234
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-20(16-5-3-2-4-6-16)25(23,24)17-9-7-15(8-10-17)18(22)21-13-11-19-12-14-21/h7-10,16,19H,2-6,11-14H2,1H3
InChIKeyCZFYHHBSLOJNQA-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 55584050
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
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
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353
N-cyclohexyl-N-methyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 43042174
1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 43066542
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 27745975

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide (CID 119402234) is N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is CZFYHHBSLOJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-20(16-5-3-2-4-6-16)25(23,24)17-9-7-15(8-10-17)18(22)21-13-11-19-12-14-21/h7-10,16,19H,2-6,11-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide?
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119402234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).