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

C14H13F3N2O2S — CID 16777240

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F3N2O2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-13(18)12(8-10)14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyYWTBWBHMWBIXEQ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.40
Rot. Bonds3

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

N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 16777240) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID16777240
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F3N2O2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-13(18)12(8-10)14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyYWTBWBHMWBIXEQ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 16777240) is N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is YWTBWBHMWBIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-13(18)12(8-10)14(15,16)17/h2-8,19H,18H2,1H3.
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 3.40, 3 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16777240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).