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

C13H10ClF2NO3S2 — CID 57378877

IUPACN-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2NO3S2/c1-21(18)12-4-2-8(14)6-11(12)17-22(19,20)13-5-3-9(15)7-10(13)16/h2-7,17H,1H3
InChIKeyVSYVRTYGAHJLQP-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.16
Rot. Bonds4

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

N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 57378877) has the molecular formula C13H10ClF2NO3S2 and a molecular weight of 365.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID57378877
Molecular FormulaC13H10ClF2NO3S2
Molecular Weight365.81 g/mol
Exact Mass364.98
IUPAC NameN-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2NO3S2/c1-21(18)12-4-2-8(14)6-11(12)17-22(19,20)13-5-3-9(15)7-10(13)16/h2-7,17H,1H3
InChIKeyVSYVRTYGAHJLQP-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(5-chloro-2-methylsulfinylphenyl)thiophene-2-sulfonamide
CID 67972821
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
CID 57378758
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
CID 67972409
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide (CID 57378877) is N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide is CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is VSYVRTYGAHJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3S2/c1-21(18)12-4-2-8(14)6-11(12)17-22(19,20)13-5-3-9(15)7-10(13)16/h2-7,17H,1H3.
What are the key properties of N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide?
N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 365.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 57378877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).