N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide

C16H16N2O3S — CID 110757847

IUPACN-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)Nc2cccc(C#N)c2)ccc1OC
InChIInChI=1S/C16H16N2O3S/c1-3-13-10-15(7-8-16(13)21-2)22(19,20)18-14-6-4-5-12(9-14)11-17/h4-10,18H,3H2,1-2H3
InChIKeyKGDKGHUJGJWFER-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.93
Rot. Bonds5

About N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide

N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide (PubChem CID 110757847) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
PubChem CID110757847
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)Nc2cccc(C#N)c2)ccc1OC
InChIInChI=1S/C16H16N2O3S/c1-3-13-10-15(7-8-16(13)21-2)22(19,20)18-14-6-4-5-12(9-14)11-17/h4-10,18H,3H2,1-2H3
InChIKeyKGDKGHUJGJWFER-UHFFFAOYSA-N
XLogP2.93
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 100814404
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 171134272
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061490
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
N-(3-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49368704
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide (CID 110757847) is N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide is CCc1cc(S(=O)(=O)Nc2cccc(C#N)c2)ccc1OC.
What is the InChIKey of N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is KGDKGHUJGJWFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-13-10-15(7-8-16(13)21-2)22(19,20)18-14-6-4-5-12(9-14)11-17/h4-10,18H,3H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide?
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110757847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).