2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

C15H8F4N2O3S2 — CID 8013057

IUPAC2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc(F)c(F)c(F)c3F)sc2c1
InChIInChI=1S/C15H8F4N2O3S2/c1-26(23,24)6-2-3-9-10(4-6)25-15(20-9)21-14(22)7-5-8(16)12(18)13(19)11(7)17/h2-5H,1H3,(H,20,21,22)
InChIKeyZZRKCPFDYSHSDK-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.51
Rot. Bonds3

About 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 8013057) has the molecular formula C15H8F4N2O3S2 and a molecular weight of 404.37 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID8013057
Molecular FormulaC15H8F4N2O3S2
Molecular Weight404.37 g/mol
Exact Mass403.99
IUPAC Name2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc(F)c(F)c(F)c3F)sc2c1
InChIInChI=1S/C15H8F4N2O3S2/c1-26(23,24)6-2-3-9-10(4-6)25-15(20-9)21-14(22)7-5-8(16)12(18)13(19)11(7)17/h2-5H,1H3,(H,20,21,22)
InChIKeyZZRKCPFDYSHSDK-UHFFFAOYSA-N
XLogP3.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide 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

2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
4-(difluoromethyl)-3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167809196
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 47086370
5-(2-fluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 55604393
1-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 142785227
1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
CID 55573922
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167986896

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 8013057) is 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(F)c(F)c(F)c3F)sc2c1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZZRKCPFDYSHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O3S2/c1-26(23,24)6-2-3-9-10(4-6)25-15(20-9)21-14(22)7-5-8(16)12(18)13(19)11(7)17/h2-5H,1H3,(H,20,21,22).
What are the key properties of 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 404.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 8013057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).