2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide

C14H11Cl2NO3S2 — CID 11474329

IUPAC2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
SMILESCSc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S2/c1-21-10-3-5-11(6-4-10)22(19,20)17-14(18)12-7-2-9(15)8-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyWDZVJGNTRLDPPZ-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.83
Rot. Bonds4

About 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide

2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide (PubChem CID 11474329) has the molecular formula C14H11Cl2NO3S2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
PubChem CID11474329
Molecular FormulaC14H11Cl2NO3S2
Molecular Weight376.29 g/mol
Exact Mass374.96
IUPAC Name2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
SMILESCSc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S2/c1-21-10-3-5-11(6-4-10)22(19,20)17-14(18)12-7-2-9(15)8-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyWDZVJGNTRLDPPZ-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea
CID 134103806
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
2,4-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]benzamide
CID 86037910
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992
N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
CID 78895597
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
(2S)-2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 69206535

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide (CID 11474329) is 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide is CSc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide?
The InChIKey is WDZVJGNTRLDPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S2/c1-21-10-3-5-11(6-4-10)22(19,20)17-14(18)12-7-2-9(15)8-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide?
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide has a molecular weight of 376.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide is sourced from PubChem (CID 11474329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).