N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide

C13H11Cl2NO4S2 — CID 46534846

IUPACN-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H11Cl2NO4S2/c1-21(17,18)10-3-5-11(6-4-10)22(19,20)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3
InChIKeyXINUCLNOWDXTIR-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.20
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide

N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide (PubChem CID 46534846) has the molecular formula C13H11Cl2NO4S2 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
PubChem CID46534846
Molecular FormulaC13H11Cl2NO4S2
Molecular Weight380.27 g/mol
Exact Mass378.95
IUPAC NameN-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H11Cl2NO4S2/c1-21(17,18)10-3-5-11(6-4-10)22(19,20)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3
InChIKeyXINUCLNOWDXTIR-UHFFFAOYSA-N
XLogP3.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
CID 156767618
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide (CID 46534846) is N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide?
The InChIKey is XINUCLNOWDXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S2/c1-21(17,18)10-3-5-11(6-4-10)22(19,20)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide?
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide has a molecular weight of 380.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 46534846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).