2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide

C11H12ClN3O3S2 — CID 75377081

IUPAC2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
SMILESCC(C(=O)NS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3O3S2/c1-7(9-3-4-10(12)19-9)11(16)14-20(17,18)8-5-13-15(2)6-8/h3-7H,1-2H3,(H,14,16)
InChIKeyPONMWWVSGZXFEG-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.74
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide

2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide (PubChem CID 75377081) has the molecular formula C11H12ClN3O3S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
PubChem CID75377081
Molecular FormulaC11H12ClN3O3S2
Molecular Weight333.82 g/mol
Exact Mass333.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
SMILESCC(C(=O)NS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3O3S2/c1-7(9-3-4-10(12)19-9)11(16)14-20(17,18)8-5-13-15(2)6-8/h3-7H,1-2H3,(H,14,16)
InChIKeyPONMWWVSGZXFEG-UHFFFAOYSA-N
XLogP1.74
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide (CID 75377081) is 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide is CC(C(=O)NS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide?
The InChIKey is PONMWWVSGZXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S2/c1-7(9-3-4-10(12)19-9)11(16)14-20(17,18)8-5-13-15(2)6-8/h3-7H,1-2H3,(H,14,16).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide?
2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide is sourced from PubChem (CID 75377081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).