N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide

C15H18N2O3S — CID 4105425

IUPACN-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-17(13-7-9-14(10-8-13)20-4-2)21(18,19)15-6-5-11-16-12-15/h5-12H,3-4H2,1-2H3
InChIKeySIYUZYCWUWWZFZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide

N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide (PubChem CID 4105425) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
PubChem CID4105425
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-17(13-7-9-14(10-8-13)20-4-2)21(18,19)15-6-5-11-16-12-15/h5-12H,3-4H2,1-2H3
InChIKeySIYUZYCWUWWZFZ-UHFFFAOYSA-N
XLogP2.70
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 56794329
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
CID 43275778
N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158136
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
5-[ethyl-(4-pyridin-3-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236581
N-(4-ethoxyphenyl)-N-ethyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 3418779
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide (CID 4105425) is N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide is CCOc1ccc(N(CC)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide?
The InChIKey is SIYUZYCWUWWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-17(13-7-9-14(10-8-13)20-4-2)21(18,19)15-6-5-11-16-12-15/h5-12H,3-4H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide?
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 4105425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).