6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide

C14H17N3O3S — CID 114613079

IUPAC6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(CN)nc2)cc1
InChIInChI=1S/C14H17N3O3S/c1-2-20-13-6-3-11(4-7-13)17-21(18,19)14-8-5-12(9-15)16-10-14/h3-8,10,17H,2,9,15H2,1H3
InChIKeyVJSRHACSFGVSTL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.74
Rot. Bonds6

About 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 114613079) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
PubChem CID114613079
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(CN)nc2)cc1
InChIInChI=1S/C14H17N3O3S/c1-2-20-13-6-3-11(4-7-13)17-21(18,19)14-8-5-12(9-15)16-10-14/h3-8,10,17H,2,9,15H2,1H3
InChIKeyVJSRHACSFGVSTL-UHFFFAOYSA-N
XLogP1.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(4-propoxyphenyl)pyridine-3-sulfonamide
CID 62328717
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide (CID 114613079) is 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(CN)nc2)cc1.
What is the InChIKey of 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is VJSRHACSFGVSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-20-13-6-3-11(4-7-13)17-21(18,19)14-8-5-12(9-15)16-10-14/h3-8,10,17H,2,9,15H2,1H3.
What are the key properties of 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).