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

C12H14N2O2S2 — CID 110446621

IUPAC3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccs2)cc1C
InChIInChI=1S/C12H14N2O2S2/c1-9-3-4-11(7-10(9)2)18(15,16)14-8-12-13-5-6-17-12/h3-7,14H,8H2,1-2H3
InChIKeyPXWGBAFXNYZHLY-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.24
Rot. Bonds4

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

3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110446621) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110446621
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccs2)cc1C
InChIInChI=1S/C12H14N2O2S2/c1-9-3-4-11(7-10(9)2)18(15,16)14-8-12-13-5-6-17-12/h3-7,14H,8H2,1-2H3
InChIKeyPXWGBAFXNYZHLY-UHFFFAOYSA-N
XLogP2.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870212
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277014

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110446621) is 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nccs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is PXWGBAFXNYZHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-3-4-11(7-10(9)2)18(15,16)14-8-12-13-5-6-17-12/h3-7,14H,8H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110446621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).