N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide

C12H10F2N2O3S2 — CID 47952038

IUPACN'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C12H10F2N2O3S2/c1-7-2-5-11(20-7)12(17)15-16-21(18,19)8-3-4-9(13)10(14)6-8/h2-6,16H,1H3,(H,15,17)
InChIKeyYBPPMRGFSNCDIC-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.96
Rot. Bonds4

About N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide

N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide (PubChem CID 47952038) has the molecular formula C12H10F2N2O3S2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide
PubChem CID47952038
Molecular FormulaC12H10F2N2O3S2
Molecular Weight332.35 g/mol
Exact Mass332.01
IUPAC NameN'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C12H10F2N2O3S2/c1-7-2-5-11(20-7)12(17)15-16-21(18,19)8-3-4-9(13)10(14)6-8/h2-6,16H,1H3,(H,15,17)
InChIKeyYBPPMRGFSNCDIC-UHFFFAOYSA-N
XLogP1.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 8500703
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CID 8523745
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681
4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide
CID 19205161
N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
CID 8617039
N'-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 60585446
N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 91817409
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
N-[(3,4-difluorophenyl)sulfonylamino]-N'-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ethanimidamide
CID 123137150
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide (CID 47952038) is N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is YBPPMRGFSNCDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S2/c1-7-2-5-11(20-7)12(17)15-16-21(18,19)8-3-4-9(13)10(14)6-8/h2-6,16H,1H3,(H,15,17).
What are the key properties of N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide?
N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide has a molecular weight of 332.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 47952038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).