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

C14H13F3N2O2S — CID 11232768

IUPACN-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(N)c2)cc1
InChIInChI=1S/C14H13F3N2O2S/c1-22(20,21)19-11-5-2-9(3-6-11)10-4-7-12(13(18)8-10)14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyJDJNEZHDXSZFNJ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.33
Rot. Bonds3

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

N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (PubChem CID 11232768) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
PubChem CID11232768
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(N)c2)cc1
InChIInChI=1S/C14H13F3N2O2S/c1-22(20,21)19-11-5-2-9(3-6-11)10-4-7-12(13(18)8-10)14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyJDJNEZHDXSZFNJ-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.33
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-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (CID 11232768) is N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(N)c2)cc1.
What is the InChIKey of N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The InChIKey is JDJNEZHDXSZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-22(20,21)19-11-5-2-9(3-6-11)10-4-7-12(13(18)8-10)14(15,16)17/h2-8,19H,18H2,1H3.
What are the key properties of N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11232768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).