N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide

C14H13F3N2O2S — CID 16776379

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
SMILESNc1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)12-8-11(6-7-13(12)18)19-22(20,21)9-10-4-2-1-3-5-10/h1-8,19H,9,18H2
InChIKeyTZTQDSHDWGHONQ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.23
Rot. Bonds4

About N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide

N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 16776379) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID16776379
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
SMILESNc1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)12-8-11(6-7-13(12)18)19-22(20,21)9-10-4-2-1-3-5-10/h1-8,19H,9,18H2
InChIKeyTZTQDSHDWGHONQ-UHFFFAOYSA-N
XLogP3.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61456594
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 162674533
2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoylmethyl]benzoyl]amino]acetic acid
CID 19764014
N-[4-amino-3-(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
CID 162644046
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide (CID 16776379) is N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide is Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is TZTQDSHDWGHONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)12-8-11(6-7-13(12)18)19-22(20,21)9-10-4-2-1-3-5-10/h1-8,19H,9,18H2.
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 3.23, 4 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 16776379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).