N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide

C19H11F4N3O4S2 — CID 70140206

IUPACN-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H11F4N3O4S2/c20-12-2-5-18(14(22)8-12)31(27,28)25-16-4-1-11(10-24)7-17(16)26-32(29,30)19-6-3-13(21)9-15(19)23/h1-9,25-26H
InChIKeyDWLMISAEEJWYBD-UHFFFAOYSA-N
MW485.44 g/mol
LogP3.72
Rot. Bonds6

About N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide

N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 70140206) has the molecular formula C19H11F4N3O4S2 and a molecular weight of 485.44 g/mol. Its IUPAC name is N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID70140206
Molecular FormulaC19H11F4N3O4S2
Molecular Weight485.44 g/mol
Exact Mass485.01
IUPAC NameN-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H11F4N3O4S2/c20-12-2-5-18(14(22)8-12)31(27,28)25-16-4-1-11(10-24)7-17(16)26-32(29,30)19-6-3-13(21)9-15(19)23/h1-9,25-26H
InChIKeyDWLMISAEEJWYBD-UHFFFAOYSA-N
XLogP3.72
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide (CID 70140206) is N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(NS(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is DWLMISAEEJWYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O4S2/c20-12-2-5-18(14(22)8-12)31(27,28)25-16-4-1-11(10-24)7-17(16)26-32(29,30)19-6-3-13(21)9-15(19)23/h1-9,25-26H.
What are the key properties of N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 485.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 70140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).