3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

C15H14N2O4S — CID 171134272

IUPAC3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C#N)c2)c1
InChIInChI=1S/C15H14N2O4S/c1-20-13-5-3-4-12(9-13)17-22(18,19)14-6-7-15(21-2)11(8-14)10-16/h3-9,17H,1-2H3
InChIKeyVGWSVNPPFUZSKS-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.38
Rot. Bonds5

About 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 171134272) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID171134272
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C#N)c2)c1
InChIInChI=1S/C15H14N2O4S/c1-20-13-5-3-4-12(9-13)17-22(18,19)14-6-7-15(21-2)11(8-14)10-16/h3-9,17H,1-2H3
InChIKeyVGWSVNPPFUZSKS-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

4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 79185383
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
CID 168543230
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 171134272) is 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(OC)c(C#N)c2)c1.
What is the InChIKey of 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is VGWSVNPPFUZSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-20-13-5-3-4-12(9-13)17-22(18,19)14-6-7-15(21-2)11(8-14)10-16/h3-9,17H,1-2H3.
What are the key properties of 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide 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 3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 171134272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).