4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

C17H12F2N2O3S — CID 42030668

IUPAC4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2C1=O
InChIInChI=1S/C17H12F2N2O3S/c1-21-15(23)12-7-4-10(8-13(12)16(21)24)20-14(22)9-2-5-11(6-3-9)25-17(18)19/h2-8,17H,1H3,(H,20,22)
InChIKeySIONTWBUEVMGSV-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.48
Rot. Bonds4

About 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 42030668) has the molecular formula C17H12F2N2O3S and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID42030668
Molecular FormulaC17H12F2N2O3S
Molecular Weight362.36 g/mol
Exact Mass362.05
IUPAC Name4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2C1=O
InChIInChI=1S/C17H12F2N2O3S/c1-21-15(23)12-7-4-10(8-13(12)16(21)24)20-14(22)9-2-5-11(6-3-9)25-17(18)19/h2-8,17H,1H3,(H,20,22)
InChIKeySIONTWBUEVMGSV-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,5-dinitrobenzamide
CID 4536464
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
CID 24616145
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 42030650
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 42030668) is 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is CN1C(=O)c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2C1=O.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is SIONTWBUEVMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3S/c1-21-15(23)12-7-4-10(8-13(12)16(21)24)20-14(22)9-2-5-11(6-3-9)25-17(18)19/h2-8,17H,1H3,(H,20,22).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 362.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 42030668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).