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

C14H14ClNO2S2 — CID 110778592

IUPAC1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
SMILESCSc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-14-8-6-13(7-9-14)16-20(17,18)10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyNYCBTQLWQMMRIA-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.00
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide (PubChem CID 110778592) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
PubChem CID110778592
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
SMILESCSc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-14-8-6-13(7-9-14)16-20(17,18)10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyNYCBTQLWQMMRIA-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

4-((4-Chlorophenyl)sulfonyl)aniline
CID 229818
Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
4-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
N-(2-Chlorophenyl)-4-methylbenzenesulfonamide
CID 80791
4-amino-N-((4-chlorophenyl)methyl)benzene-1-sulfonamide
CID 9150144
N-(4-((4-chlorophenylthio)methyl)phenyl)benzenesulfonamide
CID 259534
2-chloro-N-(2-methylphenyl)-5-(methylsulfonyl)benzenesulfonamide
CID 990927
4-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 722856
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
2-[2-(4-Chlorophenyl)ethylsulfonylamino]benzenesulfonamide
CID 42643896

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide (CID 110778592) is 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide is CSc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
The InChIKey is NYCBTQLWQMMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-19-14-8-6-13(7-9-14)16-20(17,18)10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide?
1-(4-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-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide is sourced from PubChem (CID 110778592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).