4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide

C14H12Cl3NO2S — CID 22773548

IUPAC4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C14H12Cl3NO2S/c1-8-4-14(9(2)3-13(8)17)21(19,20)18-12-6-10(15)5-11(16)7-12/h3-7,18H,1-2H3
InChIKeyLITNOOCAOVXLPO-UHFFFAOYSA-N
MW364.68 g/mol
LogP5.06
Rot. Bonds3

About 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 22773548) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID22773548
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC Name4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C14H12Cl3NO2S/c1-8-4-14(9(2)3-13(8)17)21(19,20)18-12-6-10(15)5-11(16)7-12/h3-7,18H,1-2H3
InChIKeyLITNOOCAOVXLPO-UHFFFAOYSA-N
XLogP5.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.68
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
4-chloro-2,5-dimethylbenzenesulfonohydrazide
CID 2799465
4-chloro-2,5-dimethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774128
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoic acid
CID 59174218
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532986
4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 171822694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide (CID 22773548) is 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is LITNOOCAOVXLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c1-8-4-14(9(2)3-13(8)17)21(19,20)18-12-6-10(15)5-11(16)7-12/h3-7,18H,1-2H3.
What are the key properties of 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 364.68 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22773548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).