N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide

C16H12F2N2O4S — CID 60527504

IUPACN-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2S1(=O)=O
InChIInChI=1S/C16H12F2N2O4S/c1-2-20-16(22)11-5-3-9(7-14(11)25(20,23)24)15(21)19-13-6-4-10(17)8-12(13)18/h3-8H,2H2,1H3,(H,19,21)
InChIKeyDTSKLRTZSWDQLO-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.38
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide

N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide (PubChem CID 60527504) has the molecular formula C16H12F2N2O4S and a molecular weight of 366.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
PubChem CID60527504
Molecular FormulaC16H12F2N2O4S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC NameN-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2S1(=O)=O
InChIInChI=1S/C16H12F2N2O4S/c1-2-20-16(22)11-5-3-9(7-14(11)25(20,23)24)15(21)19-13-6-4-10(17)8-12(13)18/h3-8H,2H2,1H3,(H,19,21)
InChIKeyDTSKLRTZSWDQLO-UHFFFAOYSA-N
XLogP2.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26360019
2-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 53276863
N-(5-fluoro-2-methylphenyl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 60524060
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
1-[(2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538658
N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592754
2-ethyl-N-(2-ethylcyclohexyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 60529982
6-chloro-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 67718228
2-ethyl-1,1,3-trioxo-N-(pyrrolidin-2-ylmethyl)-1,2-benzothiazole-6-carboxamide
CID 119514890
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
2-[(2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189318

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide (CID 60527504) is N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2S1(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
The InChIKey is DTSKLRTZSWDQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4S/c1-2-20-16(22)11-5-3-9(7-14(11)25(20,23)24)15(21)19-13-6-4-10(17)8-12(13)18/h3-8H,2H2,1H3,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide?
N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 60527504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).