4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C18H19FN2O4S — CID 26583543

IUPAC4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)ccc1F
InChIInChI=1S/C18H19FN2O4S/c1-13-12-16(6-7-17(13)19)26(23,24)20-15-4-2-14(3-5-15)18(22)21-8-10-25-11-9-21/h2-7,12,20H,8-11H2,1H3
InChIKeyJXOBJGFISWVVKB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds4

About 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 26583543) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID26583543
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)ccc1F
InChIInChI=1S/C18H19FN2O4S/c1-13-12-16(6-7-17(13)19)26(23,24)20-15-4-2-14(3-5-15)18(22)21-8-10-25-11-9-21/h2-7,12,20H,8-11H2,1H3
InChIKeyJXOBJGFISWVVKB-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 55646338
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
4-fluoro-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112771520
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
3,4-dimethyl-N-[4-(1-oxo-1,4-thiazinane-4-carbonyl)phenyl]benzenesulfonamide
CID 56535834
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 26583543) is 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is JXOBJGFISWVVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13-12-16(6-7-17(13)19)26(23,24)20-15-4-2-14(3-5-15)18(22)21-8-10-25-11-9-21/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26583543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).