N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide

C16H13N3O2S — CID 169373023

IUPACN-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(C#N)cc2C#N)cc1
InChIInChI=1S/C16H13N3O2S/c1-11-3-5-15(6-4-11)22(20,21)19-16-12(2)7-13(9-17)8-14(16)10-18/h3-8,19H,1-2H3
InChIKeyKPWKTMRSIZBDRZ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.85
Rot. Bonds3

About N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide

N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169373023) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID169373023
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(C#N)cc2C#N)cc1
InChIInChI=1S/C16H13N3O2S/c1-11-3-5-15(6-4-11)22(20,21)19-16-12(2)7-13(9-17)8-14(16)10-18/h3-8,19H,1-2H3
InChIKeyKPWKTMRSIZBDRZ-UHFFFAOYSA-N
XLogP2.85
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
N-(2,4-dicyano-6-methylphenyl)formamide
CID 168651715
N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 43551010
N-(4-amino-2-bromo-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828238
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 169373336
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
CID 67299025
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
CID 46833322

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide (CID 169373023) is N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cc(C#N)cc2C#N)cc1.
What is the InChIKey of N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is KPWKTMRSIZBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-11-3-5-15(6-4-11)22(20,21)19-16-12(2)7-13(9-17)8-14(16)10-18/h3-8,19H,1-2H3.
What are the key properties of N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide?
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 311.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).