4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide

C14H13Cl2NO2S2 — CID 57378644

IUPAC4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide
SMILESCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H13Cl2NO2S2/c1-9-7-11(4-5-12(9)16)21(18,19)17-13-8-10(15)3-6-14(13)20-2/h3-8,17H,1-2H3
InChIKeyQBOQCPDUHVZKOT-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.82
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide

4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide (PubChem CID 57378644) has the molecular formula C14H13Cl2NO2S2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide
PubChem CID57378644
Molecular FormulaC14H13Cl2NO2S2
Molecular Weight362.30 g/mol
Exact Mass360.98
IUPAC Name4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide
SMILESCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H13Cl2NO2S2/c1-9-7-11(4-5-12(9)16)21(18,19)17-13-8-10(15)3-6-14(13)20-2/h3-8,17H,1-2H3
InChIKeyQBOQCPDUHVZKOT-UHFFFAOYSA-N
XLogP4.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
2-chloro-N-(2-methylphenyl)-5-(methylsulfonyl)benzenesulfonamide
CID 990927
4-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 722856
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
CID 42645534
2-[2-(2-Chlorophenyl)ethenesulfonamido]benzene-1-sulfonamide
CID 42646765
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
US9663460, Example 18
CID 57378424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide (CID 57378644) is 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide is CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is QBOQCPDUHVZKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S2/c1-9-7-11(4-5-12(9)16)21(18,19)17-13-8-10(15)3-6-14(13)20-2/h3-8,17H,1-2H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide?
4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 362.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylsulfanylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 57378644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).