N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide

C15H18N2O3S — CID 97099113

IUPACN-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCN([C@@H](C)c1cccc(O)c1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H18N2O3S/c1-3-17(12(2)13-6-4-7-14(18)10-13)21(19,20)15-8-5-9-16-11-15/h4-12,18H,3H2,1-2H3/t12-/m0/s1
InChIKeyCVMJHOPGMWLUCF-LBPRGKRZSA-N
MW306.39 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide

N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 97099113) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID97099113
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCN([C@@H](C)c1cccc(O)c1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H18N2O3S/c1-3-17(12(2)13-6-4-7-14(18)10-13)21(19,20)15-8-5-9-16-11-15/h4-12,18H,3H2,1-2H3/t12-/m0/s1
InChIKeyCVMJHOPGMWLUCF-LBPRGKRZSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 107651216
3-[ethyl-[1-(3-hydroxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 60950620
3-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 79585929
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
2-cyano-N-ethyl-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95781644
N-[(S)-(4-bromophenyl)-pyridin-3-ylmethyl]-N-ethylbenzenesulfonamide
CID 95788581
methyl 3-[ethyl-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]sulfamoyl]benzoate
CID 95788580
N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 97239326
N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide
CID 54996530
5-bromo-4-cyano-N-ethyl-2-fluoro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 124735617
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide (CID 97099113) is N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide is CCN([C@@H](C)c1cccc(O)c1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is CVMJHOPGMWLUCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-17(12(2)13-6-4-7-14(18)10-13)21(19,20)15-8-5-9-16-11-15/h4-12,18H,3H2,1-2H3/t12-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide?
N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97099113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).