N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide

C15H10F2N2O3S2 — CID 47086370

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1
InChIInChI=1S/C15H10F2N2O3S2/c1-24(21,22)9-4-2-3-8(5-9)14(20)19-15-18-12-6-10(16)11(17)7-13(12)23-15/h2-7H,1H3,(H,18,19,20)
InChIKeyBYTZDUFMBAYJSY-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.23
Rot. Bonds3

About N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide (PubChem CID 47086370) has the molecular formula C15H10F2N2O3S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
PubChem CID47086370
Molecular FormulaC15H10F2N2O3S2
Molecular Weight368.39 g/mol
Exact Mass368.01
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1
InChIInChI=1S/C15H10F2N2O3S2/c1-24(21,22)9-4-2-3-8(5-9)14(20)19-15-18-12-6-10(16)11(17)7-13(12)23-15/h2-7H,1H3,(H,18,19,20)
InChIKeyBYTZDUFMBAYJSY-UHFFFAOYSA-N
XLogP3.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
4-(difluoromethyl)-3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167809196
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139
N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996
1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
CID 55573922
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide (CID 47086370) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
The InChIKey is BYTZDUFMBAYJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S2/c1-24(21,22)9-4-2-3-8(5-9)14(20)19-15-18-12-6-10(16)11(17)7-13(12)23-15/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide has a molecular weight of 368.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 47086370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).