N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide

C19H20F2N2O4S — CID 24663333

IUPACN-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC(C)O1
InChIInChI=1S/C19H20F2N2O4S/c1-12-10-23(11-13(2)27-12)19(24)15-5-3-4-6-18(15)22-28(25,26)14-7-8-16(20)17(21)9-14/h3-9,12-13,22H,10-11H2,1-2H3
InChIKeyNXTGDTLXFCNAFV-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide

N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide (PubChem CID 24663333) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
PubChem CID24663333
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC NameN-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC(C)O1
InChIInChI=1S/C19H20F2N2O4S/c1-12-10-23(11-13(2)27-12)19(24)15-5-3-4-6-18(15)22-28(25,26)14-7-8-16(20)17(21)9-14/h3-9,12-13,22H,10-11H2,1-2H3
InChIKeyNXTGDTLXFCNAFV-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24663379
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24663378
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
CID 24663322
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55350252
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide (CID 24663333) is N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide is CC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is NXTGDTLXFCNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-12-10-23(11-13(2)27-12)19(24)15-5-3-4-6-18(15)22-28(25,26)14-7-8-16(20)17(21)9-14/h3-9,12-13,22H,10-11H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide?
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 410.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 24663333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).