N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C11H12N2O2S2 — CID 895414

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2cccc(NS(C)(=O)=O)c2)cs1
InChIInChI=1S/C11H12N2O2S2/c1-8-12-11(7-16-8)9-4-3-5-10(6-9)13-17(2,14)15/h3-7,13H,1-2H3
InChIKeyNWELCGNGBJTPEQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.49
Rot. Bonds3

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 895414) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID895414
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2cccc(NS(C)(=O)=O)c2)cs1
InChIInChI=1S/C11H12N2O2S2/c1-8-12-11(7-16-8)9-4-3-5-10(6-9)13-17(2,14)15/h3-7,13H,1-2H3
InChIKeyNWELCGNGBJTPEQ-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 895414) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is Cc1nc(-c2cccc(NS(C)(=O)=O)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is NWELCGNGBJTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8-12-11(7-16-8)9-4-3-5-10(6-9)13-17(2,14)15/h3-7,13H,1-2H3.
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 895414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).