N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide

C15H14N2O4S — CID 2824579

IUPACN-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1OC
InChIInChI=1S/C15H14N2O4S/c1-20-14-8-7-12(9-15(14)21-2)22(18,19)17-13-6-4-3-5-11(13)10-16/h3-9,17H,1-2H3
InChIKeyIVPUEDAJMCPDQP-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.38
Rot. Bonds5

About N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide

N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 2824579) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID2824579
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1OC
InChIInChI=1S/C15H14N2O4S/c1-20-14-8-7-12(9-15(14)21-2)22(18,19)17-13-6-4-3-5-11(13)10-16/h3-9,17H,1-2H3
InChIKeyIVPUEDAJMCPDQP-UHFFFAOYSA-N
XLogP2.38
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8813934
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide (CID 2824579) is N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1OC.
What is the InChIKey of N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is IVPUEDAJMCPDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-20-14-8-7-12(9-15(14)21-2)22(18,19)17-13-6-4-3-5-11(13)10-16/h3-9,17H,1-2H3.
What are the key properties of N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2824579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).