N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide

C16H14N2O3S2 — CID 578911

IUPACN-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C16H14N2O3S2/c1-21-13-7-5-12(6-8-13)18-23(19,20)16-10-9-15(22-16)14-4-2-3-11-17-14/h2-11,18H,1H3
InChIKeyIOXSRTYCGYOTSS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.62
Rot. Bonds5

About N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide

N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 578911) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID578911
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C16H14N2O3S2/c1-21-13-7-5-12(6-8-13)18-23(19,20)16-10-9-15(22-16)14-4-2-3-11-17-14/h2-11,18H,1H3
InChIKeyIOXSRTYCGYOTSS-UHFFFAOYSA-N
XLogP3.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-Methoxyphenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770912
N-[5-(cis-3,5-Dimethyl-1-piperazinyl)-2-(methyloxy)phenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 11525404
N-[3-(cis-3,5-Dimethyl-1-piperazinyl)-4-(methyloxy)phenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 11576186
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 44452825
[(4-Methoxyphenyl)sulfonyl](2-(2-pyridyl)ethyl)amine
CID 2479319
N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 69195371
2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 5308619
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-propan-2-yloxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 44452806
N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide
CID 44581684
N-(6-methoxy-3-pyridinyl)thiophene-2-sulfonamide
CID 2354226
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-2-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 69194665
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-6-thiophen-2-ylpyridine-3-sulfonamide
CID 69195074

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide (CID 578911) is N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is IOXSRTYCGYOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-21-13-7-5-12(6-8-13)18-23(19,20)16-10-9-15(22-16)14-4-2-3-11-17-14/h2-11,18H,1H3.
What are the key properties of N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 346.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 578911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).