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

C18H25ClN2O3S — CID 1068470

IUPAC4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H25ClN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h9-10,13,15H,1-8,11-12H2,(H,20,22)
InChIKeySTZASJDYMGRWIM-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.58
Rot. Bonds4

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

4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1068470) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1068470
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H25ClN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h9-10,13,15H,1-8,11-12H2,(H,20,22)
InChIKeySTZASJDYMGRWIM-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
3-(azepan-1-ylsulfonyl)-N-[(1R,3R)-3-carbamoylcyclohexyl]-4-chlorobenzamide
CID 97076654
4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 9264502
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
4-chloro-N-cyclopentyl-3-(methylsulfamoyl)benzamide
CID 9213864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide (CID 1068470) is 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide is O=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is STZASJDYMGRWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h9-10,13,15H,1-8,11-12H2,(H,20,22).
What are the key properties of 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 384.93 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1068470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).