N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C17H16F2N2O4S — CID 109063896

IUPACN-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1)N1CCOCC1
InChIInChI=1S/C17H16F2N2O4S/c18-15-5-4-13(11-16(15)19)20-26(23,24)14-3-1-2-12(10-14)17(22)21-6-8-25-9-7-21/h1-5,10-11,20H,6-9H2
InChIKeyJKRPGTCLTOGTCR-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.24
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 109063896) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID109063896
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC NameN-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1)N1CCOCC1
InChIInChI=1S/C17H16F2N2O4S/c18-15-5-4-13(11-16(15)19)20-26(23,24)14-3-1-2-12(10-14)17(22)21-6-8-25-9-7-21/h1-5,10-11,20H,6-9H2
InChIKeyJKRPGTCLTOGTCR-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063341
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 119375503
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 109063896) is N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1)N1CCOCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is JKRPGTCLTOGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c18-15-5-4-13(11-16(15)19)20-26(23,24)14-3-1-2-12(10-14)17(22)21-6-8-25-9-7-21/h1-5,10-11,20H,6-9H2.
What are the key properties of N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 382.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).