1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide

C15H14N2O2S2 — CID 28513945

IUPAC1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
SMILESCSc1cccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H14N2O2S2/c1-20-15-4-2-3-14(9-15)17-21(18,19)11-13-7-5-12(10-16)6-8-13/h2-9,17H,11H2,1H3
InChIKeySRPIJZSUDOVGNL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.22
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide

1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide (PubChem CID 28513945) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
PubChem CID28513945
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
SMILESCSc1cccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H14N2O2S2/c1-20-15-4-2-3-14(9-15)17-21(18,19)11-13-7-5-12(10-16)6-8-13/h2-9,17H,11H2,1H3
InChIKeySRPIJZSUDOVGNL-UHFFFAOYSA-N
XLogP3.22
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-cyanophenyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 108519404
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-chloro-N-(3-methylsulfanylphenyl)butane-1-sulfonamide
CID 116814788
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 107600421
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106029547
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide (CID 28513945) is 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide is CSc1cccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide?
The InChIKey is SRPIJZSUDOVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-20-15-4-2-3-14(9-15)17-21(18,19)11-13-7-5-12(10-16)6-8-13/h2-9,17H,11H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide is sourced from PubChem (CID 28513945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).