3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide

C14H17N3O2S2 — CID 107642917

IUPAC3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccccc1SC
InChIInChI=1S/C14H17N3O2S2/c1-3-15-12-8-6-10-16-14(12)21(18,19)17-11-7-4-5-9-13(11)20-2/h4-10,15,17H,3H2,1-2H3
InChIKeyPZXLYBQHPRSQMB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.04
Rot. Bonds6

About 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide

3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide (PubChem CID 107642917) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
PubChem CID107642917
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccccc1SC
InChIInChI=1S/C14H17N3O2S2/c1-3-15-12-8-6-10-16-14(12)21(18,19)17-11-7-4-5-9-13(11)20-2/h4-10,15,17H,3H2,1-2H3
InChIKeyPZXLYBQHPRSQMB-UHFFFAOYSA-N
XLogP3.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927
N-(2,4-difluorophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304014
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306363
N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 107630627
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304698
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide (CID 107642917) is 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)Nc1ccccc1SC.
What is the InChIKey of 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide?
The InChIKey is PZXLYBQHPRSQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-3-15-12-8-6-10-16-14(12)21(18,19)17-11-7-4-5-9-13(11)20-2/h4-10,15,17H,3H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide?
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 107642917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).