N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide

C17H26N2O3S — CID 23604937

IUPACN-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c20-14-10-12-19(13-11-14)17-9-5-4-8-16(17)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,14,16-18,20H,4-5,8-13H2
InChIKeyCDZZNFASZUULLT-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide

N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 23604937) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID23604937
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c20-14-10-12-19(13-11-14)17-9-5-4-8-16(17)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,14,16-18,20H,4-5,8-13H2
InChIKeyCDZZNFASZUULLT-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide (CID 23604937) is N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1N1CCC(O)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is CDZZNFASZUULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-14-10-12-19(13-11-14)17-9-5-4-8-16(17)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,14,16-18,20H,4-5,8-13H2.
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide?
N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).