N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide

C15H10F2N2O3S2 — CID 7267144

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C15H10F2N2O3S2/c1-24(21,22)10-4-2-3-8(5-10)14(20)19-15-18-13-11(17)6-9(16)7-12(13)23-15/h2-7H,1H3,(H,18,19,20)
InChIKeyWJWXXQUBGPOTNG-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.23
Rot. Bonds3

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide (PubChem CID 7267144) has the molecular formula C15H10F2N2O3S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
PubChem CID7267144
Molecular FormulaC15H10F2N2O3S2
Molecular Weight368.39 g/mol
Exact Mass368.01
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C15H10F2N2O3S2/c1-24(21,22)10-4-2-3-8(5-10)14(20)19-15-18-13-11(17)6-9(16)7-12(13)23-15/h2-7H,1H3,(H,18,19,20)
InChIKeyWJWXXQUBGPOTNG-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-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 47086370
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 9119417
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
CID 7600080
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
N'-(4-bromo-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 43953368
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2460785
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16809678

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide (CID 7267144) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
The InChIKey is WJWXXQUBGPOTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S2/c1-24(21,22)10-4-2-3-8(5-10)14(20)19-15-18-13-11(17)6-9(16)7-12(13)23-15/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide?
N-(4,6-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-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 7267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).