4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C17H16ClFN2O4S — CID 24663261

IUPAC4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F)N1CCOCC1
InChIInChI=1S/C17H16ClFN2O4S/c18-12-5-6-16(14(19)11-12)26(23,24)20-15-4-2-1-3-13(15)17(22)21-7-9-25-10-8-21/h1-6,11,20H,7-10H2
InChIKeyYJYWAUWXKYPRPF-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 24663261) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID24663261
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F)N1CCOCC1
InChIInChI=1S/C17H16ClFN2O4S/c18-12-5-6-16(14(19)11-12)26(23,24)20-15-4-2-1-3-13(15)17(22)21-7-9-25-10-8-21/h1-6,11,20H,7-10H2
InChIKeyYJYWAUWXKYPRPF-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663268
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 134052293
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119416519
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 4173516
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfonylbenzenesulfonamide
CID 55896274
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 24663261) is 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F)N1CCOCC1.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is YJYWAUWXKYPRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c18-12-5-6-16(14(19)11-12)26(23,24)20-15-4-2-1-3-13(15)17(22)21-7-9-25-10-8-21/h1-6,11,20H,7-10H2.
What are the key properties of 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 398.84 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24663261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).