4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H27ClN2O3S — CID 27670624

IUPAC4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1
InChIInChI=1S/C19H27ClN2O3S/c1-21(16-8-4-2-5-9-16)19(23)15-10-11-17(20)18(14-15)26(24,25)22-12-6-3-7-13-22/h10-11,14,16H,2-9,12-13H2,1H3
InChIKeyWGYSKOJUTKKYOD-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.92
Rot. Bonds4

About 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27670624) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27670624
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1
InChIInChI=1S/C19H27ClN2O3S/c1-21(16-8-4-2-5-9-16)19(23)15-10-11-17(20)18(14-15)26(24,25)22-12-6-3-7-13-22/h10-11,14,16H,2-9,12-13H2,1H3
InChIKeyWGYSKOJUTKKYOD-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 4877834
4-fluoro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2380936
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(2-methylpropyl)benzamide
CID 134058564
4-chloro-N-methyl-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 134058596
4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47063019
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-N-cyclohexyl-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55587399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 27670624) is 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide is CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WGYSKOJUTKKYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-21(16-8-4-2-5-9-16)19(23)15-10-11-17(20)18(14-15)26(24,25)22-12-6-3-7-13-22/h10-11,14,16H,2-9,12-13H2,1H3.
What are the key properties of 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 398.96 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27670624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).