N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide

C20H17ClF2N2O2S — CID 23217418

IUPACN-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H17ClF2N2O2S/c1-25(2)20-9-8-13(10-16(20)21)15-11-17(22)18(23)12-19(15)24-28(26,27)14-6-4-3-5-7-14/h3-12,24H,1-2H3
InChIKeyIESVBCYBYMMTKY-UHFFFAOYSA-N
MW422.88 g/mol
LogP5.15
Rot. Bonds5

About N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide

N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 23217418) has the molecular formula C20H17ClF2N2O2S and a molecular weight of 422.88 g/mol. Its IUPAC name is N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
PubChem CID23217418
Molecular FormulaC20H17ClF2N2O2S
Molecular Weight422.88 g/mol
Exact Mass422.07
IUPAC NameN-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H17ClF2N2O2S/c1-25(2)20-9-8-13(10-16(20)21)15-11-17(22)18(23)12-19(15)24-28(26,27)14-6-4-3-5-7-14/h3-12,24H,1-2H3
InChIKeyIESVBCYBYMMTKY-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide (CID 23217418) is N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide is CN(C)c1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is IESVBCYBYMMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O2S/c1-25(2)20-9-8-13(10-16(20)21)15-11-17(22)18(23)12-19(15)24-28(26,27)14-6-4-3-5-7-14/h3-12,24H,1-2H3.
What are the key properties of N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 422.88 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-4-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23217418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).