N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide

C12H12N2O5S3 — CID 19817702

IUPACN-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(S(=O)(=O)c2nccs2)c1
InChIInChI=1S/C12H12N2O5S3/c1-8(15)9-3-4-10(14-21(2,16)17)11(7-9)22(18,19)12-13-5-6-20-12/h3-7,14H,1-2H3
InChIKeyGLMWNWCKWMLKEC-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.55
Rot. Bonds5

About N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide

N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide (PubChem CID 19817702) has the molecular formula C12H12N2O5S3 and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide
PubChem CID19817702
Molecular FormulaC12H12N2O5S3
Molecular Weight360.44 g/mol
Exact Mass359.99
IUPAC NameN-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(S(=O)(=O)c2nccs2)c1
InChIInChI=1S/C12H12N2O5S3/c1-8(15)9-3-4-10(14-21(2,16)17)11(7-9)22(18,19)12-13-5-6-20-12/h3-7,14H,1-2H3
InChIKeyGLMWNWCKWMLKEC-UHFFFAOYSA-N
XLogP1.55
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide (CID 19817702) is N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide is CC(=O)c1ccc(NS(C)(=O)=O)c(S(=O)(=O)c2nccs2)c1.
What is the InChIKey of N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide?
The InChIKey is GLMWNWCKWMLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S3/c1-8(15)9-3-4-10(14-21(2,16)17)11(7-9)22(18,19)12-13-5-6-20-12/h3-7,14H,1-2H3.
What are the key properties of N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide?
N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(1,3-thiazol-2-ylsulfonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 19817702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).