N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide

C17H24N2O4S — CID 1105149

IUPACN-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(14-4-2-1-3-5-14)18-15-6-8-16(9-7-15)24(21,22)19-10-12-23-13-11-19/h6-9,14H,1-5,10-13H2,(H,18,20)
InChIKeyKFCYTYPYPZLLKU-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.23
Rot. Bonds4

About N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide

N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide (PubChem CID 1105149) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
PubChem CID1105149
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(14-4-2-1-3-5-14)18-15-6-8-16(9-7-15)24(21,22)19-10-12-23-13-11-19/h6-9,14H,1-5,10-13H2,(H,18,20)
InChIKeyKFCYTYPYPZLLKU-UHFFFAOYSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide (CID 1105149) is N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
The InChIKey is KFCYTYPYPZLLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(14-4-2-1-3-5-14)18-15-6-8-16(9-7-15)24(21,22)19-10-12-23-13-11-19/h6-9,14H,1-5,10-13H2,(H,18,20).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 1105149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).