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

C16H11ClN6O3S2 — CID 42570995

IUPAC2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-n4cnnn4)ccc3Cl)sc2c1
InChIInChI=1S/C16H11ClN6O3S2/c1-28(25,26)10-3-5-13-14(7-10)27-16(19-13)20-15(24)11-6-9(2-4-12(11)17)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24)
InChIKeyUERYNHKUVIOKCJ-UHFFFAOYSA-N
MW434.89 g/mol
LogP2.58
Rot. Bonds4

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

2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide (PubChem CID 42570995) has the molecular formula C16H11ClN6O3S2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide
PubChem CID42570995
Molecular FormulaC16H11ClN6O3S2
Molecular Weight434.89 g/mol
Exact Mass434.00
IUPAC Name2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-n4cnnn4)ccc3Cl)sc2c1
InChIInChI=1S/C16H11ClN6O3S2/c1-28(25,26)10-3-5-13-14(7-10)27-16(19-13)20-15(24)11-6-9(2-4-12(11)17)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24)
InChIKeyUERYNHKUVIOKCJ-UHFFFAOYSA-N
XLogP2.58
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 29127937
2-chloro-5-(4-methylpiperazin-1-yl)-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 57422671
5-amino-2-chloro-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 143788108
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
2-chloro-4-methylsulfonyl-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 25261062
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
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-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide
CID 110162762
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
2-chloro-5-[(dimethylamino)methyl]-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 57422814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide (CID 42570995) is 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-n4cnnn4)ccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is UERYNHKUVIOKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O3S2/c1-28(25,26)10-3-5-13-14(7-10)27-16(19-13)20-15(24)11-6-9(2-4-12(11)17)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24).
What are the key properties of 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide?
2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 434.89 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42570995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).