1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide

C13H11F3N2O2S — CID 43256402

IUPAC1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H11F3N2O2S/c14-10-4-5-11(13(16)12(10)15)18-21(19,20)7-8-2-1-3-9(17)6-8/h1-6,18H,7,17H2
InChIKeyRFXXFKYWRZKURT-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide

1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide (PubChem CID 43256402) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
PubChem CID43256402
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H11F3N2O2S/c14-10-4-5-11(13(16)12(10)15)18-21(19,20)7-8-2-1-3-9(17)6-8/h1-6,18H,7,17H2
InChIKeyRFXXFKYWRZKURT-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
1-(3-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43256792
N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
CID 69009630
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
CID 62104261
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66351875
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 43132793

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide (CID 43256402) is 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide?
The InChIKey is RFXXFKYWRZKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-10-4-5-11(13(16)12(10)15)18-21(19,20)7-8-2-1-3-9(17)6-8/h1-6,18H,7,17H2.
What are the key properties of 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide is sourced from PubChem (CID 43256402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).