N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide

C19H14N2O3S2 — CID 7565732

IUPACN-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1
InChIInChI=1S/C19H14N2O3S2/c1-26(23,24)14-9-6-13(7-10-14)18(22)21-19-20-16-11-8-12-4-2-3-5-15(12)17(16)25-19/h2-11H,1H3,(H,20,21,22)
InChIKeyNVFSEEVYGFGULW-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.11
Rot. Bonds3

About N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide

N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide (PubChem CID 7565732) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
PubChem CID7565732
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1
InChIInChI=1S/C19H14N2O3S2/c1-26(23,24)14-9-6-13(7-10-14)18(22)21-19-20-16-11-8-12-4-2-3-5-15(12)17(16)25-19/h2-11H,1H3,(H,20,21,22)
InChIKeyNVFSEEVYGFGULW-UHFFFAOYSA-N
XLogP4.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide 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-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
CID 40959415
N-benzo[g][1,3]benzothiazol-2-ylbutanamide
CID 5054800
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
N-benzo[e][1,3]benzothiazol-2-yl-4-(methylsulfonylmethyl)benzamide
CID 8781134
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide
CID 13481964
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 18573740
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide (CID 7565732) is N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide?
The InChIKey is NVFSEEVYGFGULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c1-26(23,24)14-9-6-13(7-10-14)18(22)21-19-20-16-11-8-12-4-2-3-5-15(12)17(16)25-19/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide?
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide has a molecular weight of 382.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide is sourced from PubChem (CID 7565732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).