4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide

C17H25FN2O3S — CID 18083640

IUPAC4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c18-15-4-6-16(7-5-15)24(21,22)19-14-17(8-2-1-3-9-17)20-10-12-23-13-11-20/h4-7,19H,1-3,8-14H2
InChIKeyNUTAGCFLKWFFMY-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.14
Rot. Bonds5

About 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide

4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 18083640) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
PubChem CID18083640
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c18-15-4-6-16(7-5-15)24(21,22)19-14-17(8-2-1-3-9-17)20-10-12-23-13-11-20/h4-7,19H,1-3,8-14H2
InChIKeyNUTAGCFLKWFFMY-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide (CID 18083640) is 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is NUTAGCFLKWFFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-15-4-6-16(7-5-15)24(21,22)19-14-17(8-2-1-3-9-17)20-10-12-23-13-11-20/h4-7,19H,1-3,8-14H2.
What are the key properties of 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide?
4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 18083640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).