N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide

C13H10F4N2O2S — CID 16771222

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
SMILESNc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H10F4N2O2S/c14-9-2-1-3-10(7-9)22(20,21)19-12-5-4-8(6-11(12)18)13(15,16)17/h1-7,19H,18H2
InChIKeySGERMDSMNALTOR-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.23
Rot. Bonds3

About N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide

N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 16771222) has the molecular formula C13H10F4N2O2S and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID16771222
Molecular FormulaC13H10F4N2O2S
Molecular Weight334.29 g/mol
Exact Mass334.04
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
SMILESNc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H10F4N2O2S/c14-9-2-1-3-10(7-9)22(20,21)19-12-5-4-8(6-11(12)18)13(15,16)17/h1-7,19H,18H2
InChIKeySGERMDSMNALTOR-UHFFFAOYSA-N
XLogP3.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
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

N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
CID 29008434
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
3-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860766
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonyl chloride
CID 15057617
N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3780778
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide (CID 16771222) is N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide is Nc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is SGERMDSMNALTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2S/c14-9-2-1-3-10(7-9)22(20,21)19-12-5-4-8(6-11(12)18)13(15,16)17/h1-7,19H,18H2.
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 334.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 16771222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).