N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide

C13H10ClF2NO4S2 — CID 57378876

IUPACN-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2NO4S2/c1-22(18,19)13-4-2-8(14)6-11(13)17-23(20,21)12-5-3-9(15)7-10(12)16/h2-7,17H,1H3
InChIKeyDKNYXWVSZDCHFG-UHFFFAOYSA-N
MW381.81 g/mol
LogP2.82
Rot. Bonds4

About N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide

N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 57378876) has the molecular formula C13H10ClF2NO4S2 and a molecular weight of 381.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID57378876
Molecular FormulaC13H10ClF2NO4S2
Molecular Weight381.81 g/mol
Exact Mass380.97
IUPAC NameN-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2NO4S2/c1-22(18,19)13-4-2-8(14)6-11(13)17-23(20,21)12-5-3-9(15)7-10(12)16/h2-7,17H,1H3
InChIKeyDKNYXWVSZDCHFG-UHFFFAOYSA-N
XLogP2.82
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3',4-Dichlorobenzenesulfonanilide
CID 306214
4-Chloro-6-pentafluorobenzenesulfonylamino-benzene-1,3-disulfonic acid diamide
CID 10673405
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]aniline
CID 2778591
4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 4788452
US9663460, Example 62
CID 57377341
US9663460, Example 63
CID 57377342
US9663460, Example 1
CID 57378320
US9663460, Example 2
CID 57378321
4-chloro-N-[5-chloro-2-(methylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378322
4-chloro-N-[5-chloro-2-(isopropylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378323
4-chloro-N-[5-chloro-2-(ethylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378525
US9663460, Example 27
CID 57378527

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide (CID 57378876) is N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide is CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is DKNYXWVSZDCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO4S2/c1-22(18,19)13-4-2-8(14)6-11(13)17-23(20,21)12-5-3-9(15)7-10(12)16/h2-7,17H,1H3.
What are the key properties of N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide?
N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 381.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylsulfonylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 57378876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).