5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide

C8H9ClN4O3S2 — CID 113456578

IUPAC5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C8H9ClN4O3S2/c1-2-16-8-10-7(11-12-8)13-18(14,15)6-4-3-5(9)17-6/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyCVAZVOCHVPYCSZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.72
Rot. Bonds5

About 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide

5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide (PubChem CID 113456578) has the molecular formula C8H9ClN4O3S2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
PubChem CID113456578
Molecular FormulaC8H9ClN4O3S2
Molecular Weight308.77 g/mol
Exact Mass307.98
IUPAC Name5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C8H9ClN4O3S2/c1-2-16-8-10-7(11-12-8)13-18(14,15)6-4-3-5(9)17-6/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChIKeyCVAZVOCHVPYCSZ-UHFFFAOYSA-N
XLogP1.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
CID 104818665
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
CID 113456582
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 104818544
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
(E)-3-(5-chlorothiophen-2-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 104818122
5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 114166842
2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid
CID 104816689
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-1-sulfonamide
CID 107858868

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide (CID 113456578) is 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide is CCOc1n[nH]c(NS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is CVAZVOCHVPYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3S2/c1-2-16-8-10-7(11-12-8)13-18(14,15)6-4-3-5(9)17-6/h3-4H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 308.77 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 113456578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).