2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide

C16H16N2O3S — CID 110776899

IUPAC2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2ccccc2C#N)cc1C
InChIInChI=1S/C16H16N2O3S/c1-11-9-15(21-3)12(2)8-14(11)18-22(19,20)16-7-5-4-6-13(16)10-17/h4-9,18H,1-3H3
InChIKeyRYXGZMIZMDNECB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.98
Rot. Bonds4

About 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide

2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide (PubChem CID 110776899) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
PubChem CID110776899
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2ccccc2C#N)cc1C
InChIInChI=1S/C16H16N2O3S/c1-11-9-15(21-3)12(2)8-14(11)18-22(19,20)16-7-5-4-6-13(16)10-17/h4-9,18H,1-3H3
InChIKeyRYXGZMIZMDNECB-UHFFFAOYSA-N
XLogP2.98
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide
CID 115663122
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide (CID 110776899) is 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide is COc1cc(C)c(NS(=O)(=O)c2ccccc2C#N)cc1C.
What is the InChIKey of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is RYXGZMIZMDNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-9-15(21-3)12(2)8-14(11)18-22(19,20)16-7-5-4-6-13(16)10-17/h4-9,18H,1-3H3.
What are the key properties of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide?
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 110776899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).