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

C14H17N3O3S — CID 106593695

IUPAC2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccnc2CN)cc1
InChIInChI=1S/C14H17N3O3S/c1-2-20-12-7-5-11(6-8-12)17-21(18,19)14-4-3-9-16-13(14)10-15/h3-9,17H,2,10,15H2,1H3
InChIKeyDVLPVMSFEAEQMN-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.74
Rot. Bonds6

About 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 106593695) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
PubChem CID106593695
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccnc2CN)cc1
InChIInChI=1S/C14H17N3O3S/c1-2-20-12-7-5-11(6-8-12)17-21(18,19)14-4-3-9-16-13(14)10-15/h3-9,17H,2,10,15H2,1H3
InChIKeyDVLPVMSFEAEQMN-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

2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 106594436
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 106594533
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide (CID 106593695) is 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cccnc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is DVLPVMSFEAEQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-20-12-7-5-11(6-8-12)17-21(18,19)14-4-3-9-16-13(14)10-15/h3-9,17H,2,10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
2-(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 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106593695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).