2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide

C12H11ClN2O4S2 — CID 155960424

IUPAC2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide
SMILESCCOc1ncccc1S(=O)(=O)NC(=O)c1ccsc1Cl
InChIInChI=1S/C12H11ClN2O4S2/c1-2-19-12-9(4-3-6-14-12)21(17,18)15-11(16)8-5-7-20-10(8)13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyZZONOXWJSLIDQK-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.31
Rot. Bonds5

About 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide

2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide (PubChem CID 155960424) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide
PubChem CID155960424
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide
SMILESCCOc1ncccc1S(=O)(=O)NC(=O)c1ccsc1Cl
InChIInChI=1S/C12H11ClN2O4S2/c1-2-19-12-9(4-3-6-14-12)21(17,18)15-11(16)8-5-7-20-10(8)13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyZZONOXWJSLIDQK-UHFFFAOYSA-N
XLogP2.31
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)sulfonyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 155960440
N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
CID 26187236
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958257
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
1-[(2-but-2-enoxy-3-pyridinyl)sulfonyl]-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 70456862
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide (CID 155960424) is 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide is CCOc1ncccc1S(=O)(=O)NC(=O)c1ccsc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide?
The InChIKey is ZZONOXWJSLIDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-2-19-12-9(4-3-6-14-12)21(17,18)15-11(16)8-5-7-20-10(8)13/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide?
2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide is sourced from PubChem (CID 155960424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).