3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C12H14ClN3O3S2 — CID 46559131

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1=NCCS1
InChIInChI=1S/C12H14ClN3O3S2/c13-9-2-1-3-10(8-9)21(18,19)15-5-4-11(17)16-12-14-6-7-20-12/h1-3,8,15H,4-7H2,(H,14,16,17)
InChIKeyCKHZEFXGGUVJHA-UHFFFAOYSA-N
MW347.85 g/mol
LogP1.23
Rot. Bonds5

About 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 46559131) has the molecular formula C12H14ClN3O3S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID46559131
Molecular FormulaC12H14ClN3O3S2
Molecular Weight347.85 g/mol
Exact Mass347.02
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1=NCCS1
InChIInChI=1S/C12H14ClN3O3S2/c13-9-2-1-3-10(8-9)21(18,19)15-5-4-11(17)16-12-14-6-7-20-12/h1-3,8,15H,4-7H2,(H,14,16,17)
InChIKeyCKHZEFXGGUVJHA-UHFFFAOYSA-N
XLogP1.23
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
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4-[(3-chlorophenyl)sulfonylamino]butanoic acid
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N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
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3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 46559131) is 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1=NCCS1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is CKHZEFXGGUVJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S2/c13-9-2-1-3-10(8-9)21(18,19)15-5-4-11(17)16-12-14-6-7-20-12/h1-3,8,15H,4-7H2,(H,14,16,17).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 347.85 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 46559131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).