3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide

C16H17ClN2O2S2 — CID 59433996

IUPAC3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)SC(C)N2C
InChIInChI=1S/C16H17ClN2O2S2/c1-10-13(17)5-4-6-16(10)23(20,21)18-12-7-8-14-15(9-12)22-11(2)19(14)3/h4-9,11,18H,1-3H3
InChIKeyYNNPLSFJFMPFOI-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide

3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide (PubChem CID 59433996) has the molecular formula C16H17ClN2O2S2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide
PubChem CID59433996
Molecular FormulaC16H17ClN2O2S2
Molecular Weight368.91 g/mol
Exact Mass368.04
IUPAC Name3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)SC(C)N2C
InChIInChI=1S/C16H17ClN2O2S2/c1-10-13(17)5-4-6-16(10)23(20,21)18-12-7-8-14-15(9-12)22-11(2)19(14)3/h4-9,11,18H,1-3H3
InChIKeyYNNPLSFJFMPFOI-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide 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

3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-(4-cyclohexylpiperazin-1-yl)benzoic acid
CID 50766047
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide (CID 59433996) is 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)SC(C)N2C.
What is the InChIKey of 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide?
The InChIKey is YNNPLSFJFMPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S2/c1-10-13(17)5-4-6-16(10)23(20,21)18-12-7-8-14-15(9-12)22-11(2)19(14)3/h4-9,11,18H,1-3H3.
What are the key properties of 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide has a molecular weight of 368.91 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethyl-2H-1,3-benzothiazol-6-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 59433996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).