1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide

C14H14ClNO2S2 — CID 110778591

IUPAC1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
SMILESCSc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-13-8-6-12(7-9-13)16-20(17,18)10-11-4-2-3-5-14(11)15/h2-9,16H,10H2,1H3
InChIKeyZXWJSBAUWIRDLO-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.00
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide

1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide (PubChem CID 110778591) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
PubChem CID110778591
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
SMILESCSc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-13-8-6-12(7-9-13)16-20(17,18)10-11-4-2-3-5-14(11)15/h2-9,16H,10H2,1H3
InChIKeyZXWJSBAUWIRDLO-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 3991135
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
CID 107650614
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2967801
1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
CID 110728613
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide
CID 50800424

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide (CID 110778591) is 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide is CSc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
The InChIKey is ZXWJSBAUWIRDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-19-13-8-6-12(7-9-13)16-20(17,18)10-11-4-2-3-5-14(11)15/h2-9,16H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide has a molecular weight of 327.86 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide is sourced from PubChem (CID 110778591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).