N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide

C8H9F3N2O2S — CID 16773348

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4,13H,12H2,1H3
InChIKeyNYDIEGVULGMIBP-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.66
Rot. Bonds2

About N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 16773348) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID16773348
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4,13H,12H2,1H3
InChIKeyNYDIEGVULGMIBP-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide (CID 16773348) is N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is NYDIEGVULGMIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-16(14,15)13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4,13H,12H2,1H3.
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 16773348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).