N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide

C15H16ClNO2S2 — CID 100517862

IUPACN-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClNO2S2/c1-11-14(16)5-4-6-15(11)17(2)21(18,19)13-9-7-12(20-3)8-10-13/h4-10H,1-3H3
InChIKeyPPUCAFUWBMIMTK-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.20
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide

N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 100517862) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
PubChem CID100517862
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC NameN-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClNO2S2/c1-11-14(16)5-4-6-15(11)17(2)21(18,19)13-9-7-12(20-3)8-10-13/h4-10H,1-3H3
InChIKeyPPUCAFUWBMIMTK-UHFFFAOYSA-N
XLogP4.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 4277205
N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 100515884
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126030814
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
CID 131843711
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
ethyl 2-(2,3-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517214
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3297636

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide (CID 100517862) is N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is PPUCAFUWBMIMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-11-14(16)5-4-6-15(11)17(2)21(18,19)13-9-7-12(20-3)8-10-13/h4-10H,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 341.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 100517862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).