1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide

C17H19N3O2S — CID 75445257

IUPAC1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(=O)(=O)Cc2ccc(C#N)cc2)cccc1N(C)C
InChIInChI=1S/C17H19N3O2S/c1-13-16(5-4-6-17(13)20(2)3)19-23(21,22)12-15-9-7-14(11-18)8-10-15/h4-10,19H,12H2,1-3H3
InChIKeyAKGVAWLVSCXXPN-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide

1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide (PubChem CID 75445257) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide
PubChem CID75445257
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(=O)(=O)Cc2ccc(C#N)cc2)cccc1N(C)C
InChIInChI=1S/C17H19N3O2S/c1-13-16(5-4-6-17(13)20(2)3)19-23(21,22)12-15-9-7-14(11-18)8-10-15/h4-10,19H,12H2,1-3H3
InChIKeyAKGVAWLVSCXXPN-UHFFFAOYSA-N
XLogP2.87
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 75522855
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
1-(4-cyanophenyl)-N-isoquinolin-4-ylmethanesulfonamide
CID 75445357
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
CID 28513945

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide (CID 75445257) is 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide is Cc1c(NS(=O)(=O)Cc2ccc(C#N)cc2)cccc1N(C)C.
What is the InChIKey of 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide?
The InChIKey is AKGVAWLVSCXXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-16(5-4-6-17(13)20(2)3)19-23(21,22)12-15-9-7-14(11-18)8-10-15/h4-10,19H,12H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide?
1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.87, 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-(dimethylamino)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 75445257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).