4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide

C18H25FN2O4S — CID 3467300

IUPAC4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H25FN2O4S/c19-16-5-7-17(8-6-16)26(23,24)20-13-14-1-3-15(4-2-14)18(22)21-9-11-25-12-10-21/h5-8,14-15,20H,1-4,9-13H2
InChIKeyKKMUMWZTXCGXRA-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.77
Rot. Bonds5

About 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide

4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 3467300) has the molecular formula C18H25FN2O4S and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID3467300
Molecular FormulaC18H25FN2O4S
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H25FN2O4S/c19-16-5-7-17(8-6-16)26(23,24)20-13-14-1-3-15(4-2-14)18(22)21-9-11-25-12-10-21/h5-8,14-15,20H,1-4,9-13H2
InChIKeyKKMUMWZTXCGXRA-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide (CID 3467300) is 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide is O=C(C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is KKMUMWZTXCGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4S/c19-16-5-7-17(8-6-16)26(23,24)20-13-14-1-3-15(4-2-14)18(22)21-9-11-25-12-10-21/h5-8,14-15,20H,1-4,9-13H2.
What are the key properties of 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3467300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).