3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide

C13H13ClN2O3S2 — CID 31287269

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S2/c1-16-7-8-20-13(16)15-12(17)6-9-21(18,19)11-4-2-10(14)3-5-11/h2-5,7-8H,6,9H2,1H3/b15-13-
InChIKeyQMUBDZSZWSXERC-SQFISAMPSA-N
MW344.85 g/mol
LogP2.03
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide

3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 31287269) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID31287269
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S2/c1-16-7-8-20-13(16)15-12(17)6-9-21(18,19)11-4-2-10(14)3-5-11/h2-5,7-8H,6,9H2,1H3/b15-13-
InChIKeyQMUBDZSZWSXERC-SQFISAMPSA-N
XLogP2.03
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 31287269) is 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is Cn1ccs/c1=N\C(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is QMUBDZSZWSXERC-SQFISAMPSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-16-7-8-20-13(16)15-12(17)6-9-21(18,19)11-4-2-10(14)3-5-11/h2-5,7-8H,6,9H2,1H3/b15-13-.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 344.85 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 31287269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).