5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide

C12H10F2N2O2S2 — CID 78985067

IUPAC5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide
SMILESNc1ccc(Sc2ccc(F)c(F)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10F2N2O2S2/c13-9-3-2-8(6-10(9)14)19-11-4-1-7(15)5-12(11)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyHZHYTHWJVGBUQJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.35
Rot. Bonds3

About 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide

5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide (PubChem CID 78985067) has the molecular formula C12H10F2N2O2S2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide
PubChem CID78985067
Molecular FormulaC12H10F2N2O2S2
Molecular Weight316.35 g/mol
Exact Mass316.02
IUPAC Name5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide
SMILESNc1ccc(Sc2ccc(F)c(F)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10F2N2O2S2/c13-9-3-2-8(6-10(9)14)19-11-4-1-7(15)5-12(11)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyHZHYTHWJVGBUQJ-UHFFFAOYSA-N
XLogP2.35
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(3,4-difluorophenyl)sulfanyl-2-methylbenzenesulfonamide
CID 79902570
4-[2,4-bis(methylsulfonyl)phenyl]sulfanyl-1,2-difluorobenzene
CID 51285177
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
CID 106748746
4-(3,4-dimethylphenyl)sulfanyl-3-fluoroaniline
CID 28972791
2-(3,4-difluorophenyl)sulfanyl-4,6-difluoroaniline
CID 115507603
4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
4-chloro-2-(3,4-difluorophenyl)sulfanylaniline
CID 113315968
6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
CID 43345149
[3-bromo-4-(3,4-difluorophenyl)sulfanylphenyl]methanamine
CID 82809947
methyl 4-amino-3-(3,4-difluorophenyl)sulfanylbenzoate
CID 82795995
3-amino-5-(2,5-difluorophenyl)sulfanylbenzenesulfonamide
CID 60988002
2-(4-bromophenyl)sulfanyl-5-(trifluoromethyl)benzenesulfonamide
CID 23546051

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide (CID 78985067) is 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide is Nc1ccc(Sc2ccc(F)c(F)c2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide?
The InChIKey is HZHYTHWJVGBUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S2/c13-9-3-2-8(6-10(9)14)19-11-4-1-7(15)5-12(11)20(16,17)18/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide?
5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-difluorophenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 78985067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).