4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide

C19H30N2O4S — CID 78833551

IUPAC4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)CN1CCOCC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c22-18(15-21-10-12-25-13-11-21)14-20-26(23,24)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h6-9,16,18,20,22H,1-5,10-15H2
InChIKeyWBILAJZQGIQUEW-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.71
Rot. Bonds7

About 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide

4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 78833551) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID78833551
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)CN1CCOCC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c22-18(15-21-10-12-25-13-11-21)14-20-26(23,24)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h6-9,16,18,20,22H,1-5,10-15H2
InChIKeyWBILAJZQGIQUEW-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide (CID 78833551) is 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCC(O)CN1CCOCC1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is WBILAJZQGIQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c22-18(15-21-10-12-25-13-11-21)14-20-26(23,24)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h6-9,16,18,20,22H,1-5,10-15H2.
What are the key properties of 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 78833551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).