N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide

C16H16N2O4S — CID 110758865

IUPACN-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2C#N)cc1OC
InChIInChI=1S/C16H16N2O4S/c1-11-8-14(21-2)15(22-3)9-16(11)23(19,20)18-13-7-5-4-6-12(13)10-17/h4-9,18H,1-3H3
InChIKeyWJRIYDKPZLXHES-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.68
Rot. Bonds5

About N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide

N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 110758865) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID110758865
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2C#N)cc1OC
InChIInChI=1S/C16H16N2O4S/c1-11-8-14(21-2)15(22-3)9-16(11)23(19,20)18-13-7-5-4-6-12(13)10-17/h4-9,18H,1-3H3
InChIKeyWJRIYDKPZLXHES-UHFFFAOYSA-N
XLogP2.68
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 39837730
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 110758865) is N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccc2C#N)cc1OC.
What is the InChIKey of N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is WJRIYDKPZLXHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-8-14(21-2)15(22-3)9-16(11)23(19,20)18-13-7-5-4-6-12(13)10-17/h4-9,18H,1-3H3.
What are the key properties of N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide?
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110758865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).