N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C19H28N2O4S — CID 78767659

IUPACN-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C19H28N2O4S/c1-14-5-2-3-12-21(14)26(24,25)18-7-4-6-15(13-18)19(23)20-16-8-10-17(22)11-9-16/h4,6-7,13-14,16-17,22H,2-3,5,8-12H2,1H3,(H,20,23)
InChIKeyVOCPTUHCSMWGBG-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.28
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 78767659) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID78767659
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C19H28N2O4S/c1-14-5-2-3-12-21(14)26(24,25)18-7-4-6-15(13-18)19(23)20-16-8-10-17(22)11-9-16/h4,6-7,13-14,16-17,22H,2-3,5,8-12H2,1H3,(H,20,23)
InChIKeyVOCPTUHCSMWGBG-UHFFFAOYSA-N
XLogP2.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8502363
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
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CID 97198443
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 78767659) is N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is VOCPTUHCSMWGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-5-2-3-12-21(14)26(24,25)18-7-4-6-15(13-18)19(23)20-16-8-10-17(22)11-9-16/h4,6-7,13-14,16-17,22H,2-3,5,8-12H2,1H3,(H,20,23).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 78767659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).