N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide

C18H26N2O3S — CID 1076675

IUPACN-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H26N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-11-17(14-15)24(22,23)20-12-5-2-6-13-20/h7-8,11,14,16H,1-6,9-10,12-13H2,(H,19,21)
InChIKeyTYPQGNBXOKNNJB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.92
Rot. Bonds4

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

N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1076675) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1076675
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H26N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-11-17(14-15)24(22,23)20-12-5-2-6-13-20/h7-8,11,14,16H,1-6,9-10,12-13H2,(H,19,21)
InChIKeyTYPQGNBXOKNNJB-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide (CID 1076675) is N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide is O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is TYPQGNBXOKNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-11-17(14-15)24(22,23)20-12-5-2-6-13-20/h7-8,11,14,16H,1-6,9-10,12-13H2,(H,19,21).
What are the key properties of N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide?
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 350.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1076675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).