N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H12N2O2S2 — CID 5205435

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C
InChIInChI=1S/C11H12N2O2S2/c1-8-9(2)16-11(12-8)13-17(14,15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyNIBPZFAOHSQBSP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5205435) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID5205435
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C
InChIInChI=1S/C11H12N2O2S2/c1-8-9(2)16-11(12-8)13-17(14,15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyNIBPZFAOHSQBSP-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 5205435) is N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NIBPZFAOHSQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8-9(2)16-11(12-8)13-17(14,15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5205435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).