3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide

C15H14N2O3S — CID 103223799

IUPAC3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H14N2O3S/c1-2-17(13-6-4-7-14(18)10-13)21(19,20)15-8-3-5-12(9-15)11-16/h3-10,18H,2H2,1H3
InChIKeyBYYGAKIPUVRPSF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.48
Rot. Bonds4

About 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide

3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 103223799) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID103223799
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H14N2O3S/c1-2-17(13-6-4-7-14(18)10-13)21(19,20)15-8-3-5-12(9-15)11-16/h3-10,18H,2H2,1H3
InChIKeyBYYGAKIPUVRPSF-UHFFFAOYSA-N
XLogP2.48
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(2S)-2-hydroxybutyl]-N-phenylbenzenesulfonamide
CID 95155706
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
CID 107736872
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide (CID 103223799) is 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is BYYGAKIPUVRPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-17(13-6-4-7-14(18)10-13)21(19,20)15-8-3-5-12(9-15)11-16/h3-10,18H,2H2,1H3.
What are the key properties of 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 103223799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).