N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide

C12H12N2O2S2 — CID 78787059

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide
SMILESCc1cnc(NS(=O)(=O)C=Cc2ccccc2)s1
InChIInChI=1S/C12H12N2O2S2/c1-10-9-13-12(17-10)14-18(15,16)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)
InChIKeyNAWHKKRNKLJHOC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide

N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide (PubChem CID 78787059) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide
PubChem CID78787059
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide
SMILESCc1cnc(NS(=O)(=O)C=Cc2ccccc2)s1
InChIInChI=1S/C12H12N2O2S2/c1-10-9-13-12(17-10)14-18(15,16)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)
InChIKeyNAWHKKRNKLJHOC-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide (CID 78787059) is N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide is Cc1cnc(NS(=O)(=O)C=Cc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide?
The InChIKey is NAWHKKRNKLJHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-10-9-13-12(17-10)14-18(15,16)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide has a molecular weight of 280.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 78787059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).