4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

C22H18ClN3O3S2 — CID 2091092

IUPAC4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)cc2s1
InChIInChI=1S/C22H18ClN3O3S2/c1-14-24-19-11-9-16(13-20(19)30-14)25-22(27)15-8-10-18(23)21(12-15)31(28,29)26(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,25,27)
InChIKeyMATTULYPHMHDCH-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.34
Rot. Bonds5

About 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2091092) has the molecular formula C22H18ClN3O3S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2091092
Molecular FormulaC22H18ClN3O3S2
Molecular Weight471.99 g/mol
Exact Mass471.05
IUPAC Name4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)cc2s1
InChIInChI=1S/C22H18ClN3O3S2/c1-14-24-19-11-9-16(13-20(19)30-14)25-22(27)15-8-10-18(23)21(12-15)31(28,29)26(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,25,27)
InChIKeyMATTULYPHMHDCH-UHFFFAOYSA-N
XLogP5.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide 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 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 2091092) is 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is Cc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)cc2s1.
What is the InChIKey of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is MATTULYPHMHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S2/c1-14-24-19-11-9-16(13-20(19)30-14)25-22(27)15-8-10-18(23)21(12-15)31(28,29)26(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,25,27).
What are the key properties of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 471.99 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2091092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).