N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide

C15H18N2O3S — CID 106936691

IUPACN-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C15H18N2O3S/c1-3-17(14-7-9-16-10-8-14)21(19,20)15-6-4-5-13(11-15)12(2)18/h4-12,18H,3H2,1-2H3
InChIKeyDFQWMKUOWRUVDU-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide

N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106936691) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106936691
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C15H18N2O3S/c1-3-17(14-7-9-16-10-8-14)21(19,20)15-6-4-5-13(11-15)12(2)18/h4-12,18H,3H2,1-2H3
InChIKeyDFQWMKUOWRUVDU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
N-ethyl-3-nitro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 100520801
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
CID 106936457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide (CID 106936691) is N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is DFQWMKUOWRUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-17(14-7-9-16-10-8-14)21(19,20)15-6-4-5-13(11-15)12(2)18/h4-12,18H,3H2,1-2H3.
What are the key properties of N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide?
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106936691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).