1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide

C16H16N2O2S — CID 29267673

IUPAC1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)Cc2ccccc2C#N)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-13-7-9-16(10-8-13)18-21(19,20)12-15-6-4-3-5-14(15)11-17/h3-10,18H,2,12H2,1H3
InChIKeyQCWHAICZUKXRAW-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide

1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide (PubChem CID 29267673) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
PubChem CID29267673
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)Cc2ccccc2C#N)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-13-7-9-16(10-8-13)18-21(19,20)12-15-6-4-3-5-14(15)11-17/h3-10,18H,2,12H2,1H3
InChIKeyQCWHAICZUKXRAW-UHFFFAOYSA-N
XLogP3.06
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
1-(2-cyanophenyl)-N-(6-methoxy-3-pyridinyl)methanesulfonamide
CID 29037208
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
CID 45330184
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
2-[4-(benzylsulfonylamino)-2-hydroxybenzoyl]oxy-4-[(2-cyanophenyl)methylsulfonylamino]benzoic acid
CID 123377503
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
2-[(2-cyanophenyl)methylsulfonylamino]-2-ethylbutanoic acid
CID 79814363
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
1-(2-cyanophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 60681191
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide (CID 29267673) is 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide is CCc1ccc(NS(=O)(=O)Cc2ccccc2C#N)cc1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide?
The InChIKey is QCWHAICZUKXRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-13-7-9-16(10-8-13)18-21(19,20)12-15-6-4-3-5-14(15)11-17/h3-10,18H,2,12H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide is sourced from PubChem (CID 29267673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).