N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide

C15H11ClN2O4S — CID 53276969

IUPACN-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2S1(=O)=O
InChIInChI=1S/C15H11ClN2O4S/c1-18-15(20)12-7-2-9(8-13(12)23(18,21)22)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19)
InChIKeyJUCRDGNNUPIQNG-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.37
Rot. Bonds2

About N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide

N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide (PubChem CID 53276969) has the molecular formula C15H11ClN2O4S and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
PubChem CID53276969
Molecular FormulaC15H11ClN2O4S
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC NameN-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2S1(=O)=O
InChIInChI=1S/C15H11ClN2O4S/c1-18-15(20)12-7-2-9(8-13(12)23(18,21)22)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19)
InChIKeyJUCRDGNNUPIQNG-UHFFFAOYSA-N
XLogP2.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide 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-chlorophenyl)-N-(4-methoxyphenyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 53277270
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55891329
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
N-(4-chlorophenyl)-9-oxofluorene-2-carboxamide
CID 42064363
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 60531543
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 55967036
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55841393
N-(4-chlorophenyl)-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91809838
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide (CID 53276969) is N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2S1(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
The InChIKey is JUCRDGNNUPIQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S/c1-18-15(20)12-7-2-9(8-13(12)23(18,21)22)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 53276969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).