N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide

C14H14ClNO2S2 — CID 100515884

IUPACN-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-16(12-5-3-11(15)4-6-12)20(17,18)14-9-7-13(19-2)8-10-14/h3-10H,1-2H3
InChIKeyUNCUZQKUBWXTRB-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.89
Rot. Bonds4

About N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide

N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 100515884) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
PubChem CID100515884
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC NameN-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-16(12-5-3-11(15)4-6-12)20(17,18)14-9-7-13(19-2)8-10-14/h3-10H,1-2H3
InChIKeyUNCUZQKUBWXTRB-UHFFFAOYSA-N
XLogP3.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591496
N-(3,4-dimethoxyphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189865
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 100517862
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 28591458
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869536
N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
CID 95969443
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide (CID 100515884) is N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is UNCUZQKUBWXTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-16(12-5-3-11(15)4-6-12)20(17,18)14-9-7-13(19-2)8-10-14/h3-10H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 327.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 100515884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).