5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide

C16H11FN6O3S2 — CID 29127937

IUPAC5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc(F)ccc3-n3cnnn3)sc2c1
InChIInChI=1S/C16H11FN6O3S2/c1-28(25,26)10-3-4-12-14(7-10)27-16(19-12)20-15(24)11-6-9(17)2-5-13(11)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24)
InChIKeyPVEGIGOSQIKSRW-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.07
Rot. Bonds4

About 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide

5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 29127937) has the molecular formula C16H11FN6O3S2 and a molecular weight of 418.44 g/mol. Its IUPAC name is 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID29127937
Molecular FormulaC16H11FN6O3S2
Molecular Weight418.44 g/mol
Exact Mass418.03
IUPAC Name5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc(F)ccc3-n3cnnn3)sc2c1
InChIInChI=1S/C16H11FN6O3S2/c1-28(25,26)10-3-4-12-14(7-10)27-16(19-12)20-15(24)11-6-9(17)2-5-13(11)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24)
InChIKeyPVEGIGOSQIKSRW-UHFFFAOYSA-N
XLogP2.07
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-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-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide
CID 42570995
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
CID 57422910
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
1-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 142785227
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167986896
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610
1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
CID 55573922
4-(difluoromethyl)-3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167809196
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 29127937) is 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(F)ccc3-n3cnnn3)sc2c1.
What is the InChIKey of 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is PVEGIGOSQIKSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O3S2/c1-28(25,26)10-3-4-12-14(7-10)27-16(19-12)20-15(24)11-6-9(17)2-5-13(11)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24).
What are the key properties of 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 418.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29127937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).