2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide

C19H22N2O2S2 — CID 30152738

IUPAC2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCCCc1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C19H22N2O2S2/c1-5-6-18-20-16-8-7-15(11-17(16)24-18)21-25(22,23)19-13(3)9-12(2)10-14(19)4/h7-11,21H,5-6H2,1-4H3
InChIKeyOKCNMIBTGNAAMK-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.97
Rot. Bonds5

About 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide

2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 30152738) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID30152738
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC Name2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCCCc1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C19H22N2O2S2/c1-5-6-18-20-16-8-7-15(11-17(16)24-18)21-25(22,23)19-13(3)9-12(2)10-14(19)4/h7-11,21H,5-6H2,1-4H3
InChIKeyOKCNMIBTGNAAMK-UHFFFAOYSA-N
XLogP4.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-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

Related Compounds

N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide
CID 30153017
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2,4,6-trimethylbenzenesulfonamide
CID 50800094
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971882
2,4,6-trimethyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 3552308
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50840019
N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
CID 30152590
2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146056879
6-[(E)-prop-1-enyl]-2-propyl-1,3-benzothiazole
CID 173058590

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 30152738) is 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide is CCCc1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is OKCNMIBTGNAAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-5-6-18-20-16-8-7-15(11-17(16)24-18)21-25(22,23)19-13(3)9-12(2)10-14(19)4/h7-11,21H,5-6H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 30152738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).