3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide

C13H12F2N2O2S2 — CID 29040314

IUPAC3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C13H12F2N2O2S2/c14-13(15)20-12-7-2-1-6-11(12)17-21(18,19)10-5-3-4-9(16)8-10/h1-8,13,17H,16H2
InChIKeyFKPCQDKELPNDJF-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.38
Rot. Bonds5

About 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide

3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 29040314) has the molecular formula C13H12F2N2O2S2 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
PubChem CID29040314
Molecular FormulaC13H12F2N2O2S2
Molecular Weight330.38 g/mol
Exact Mass330.03
IUPAC Name3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C13H12F2N2O2S2/c14-13(15)20-12-7-2-1-6-11(12)17-21(18,19)10-5-3-4-9(16)8-10/h1-8,13,17H,16H2
InChIKeyFKPCQDKELPNDJF-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.38
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

4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 26968476
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
CID 63977730
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 106057867
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
CID 107650616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide (CID 29040314) is 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ccccc2SC(F)F)c1.
What is the InChIKey of 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is FKPCQDKELPNDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S2/c14-13(15)20-12-7-2-1-6-11(12)17-21(18,19)10-5-3-4-9(16)8-10/h1-8,13,17H,16H2.
What are the key properties of 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 330.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 29040314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).