N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide

C15H18N2O3S — CID 107736591

IUPACN-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C15H18N2O3S/c1-2-17(14-4-3-5-15(18)12-14)21(19,20)11-8-13-6-9-16-10-7-13/h3-7,9-10,12,18H,2,8,11H2,1H3
InChIKeyDSCAEPZDDVZMER-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.19
Rot. Bonds6

About N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide

N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 107736591) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID107736591
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C15H18N2O3S/c1-2-17(14-4-3-5-15(18)12-14)21(19,20)11-8-13-6-9-16-10-7-13/h3-7,9-10,12,18H,2,8,11H2,1H3
InChIKeyDSCAEPZDDVZMER-UHFFFAOYSA-N
XLogP2.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 103223825
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
CID 106936457
2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
CID 103223846
2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
CID 54900131
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
CID 103223804
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
N-ethyl-2-(methylamino)-N-pyridin-4-ylethanesulfonamide
CID 106936354
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
1-[ethyl(2-methoxyethylsulfamoyl)amino]-3-hydroxybenzene
CID 107736611
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide (CID 107736591) is N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is DSCAEPZDDVZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-17(14-4-3-5-15(18)12-14)21(19,20)11-8-13-6-9-16-10-7-13/h3-7,9-10,12,18H,2,8,11H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 107736591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).