3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

C15H13ClN2O2S2 — CID 6918870

IUPAC3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2s1
InChIInChI=1S/C15H13ClN2O2S2/c1-9-12(16)4-3-5-15(9)22(19,20)18-11-6-7-14-13(8-11)17-10(2)21-14/h3-8,18H,1-2H3
InChIKeyDWDSSJLMGDBYDC-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.37
Rot. Bonds3

About 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 6918870) has the molecular formula C15H13ClN2O2S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID6918870
Molecular FormulaC15H13ClN2O2S2
Molecular Weight352.87 g/mol
Exact Mass352.01
IUPAC Name3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2s1
InChIInChI=1S/C15H13ClN2O2S2/c1-9-12(16)4-3-5-15(9)22(19,20)18-11-6-7-14-13(8-11)17-10(2)21-14/h3-8,18H,1-2H3
InChIKeyDWDSSJLMGDBYDC-UHFFFAOYSA-N
XLogP4.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-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

2,4,6-trichloro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 10409141
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
CID 10432094
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 852255
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325528
N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
CID 25040146
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
3-chloro-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122324374
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 6918870) is 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is Cc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2s1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is DWDSSJLMGDBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S2/c1-9-12(16)4-3-5-15(9)22(19,20)18-11-6-7-14-13(8-11)17-10(2)21-14/h3-8,18H,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 352.87 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 6918870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).