N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide

C14H13FN2O2S — CID 76991022

IUPACN-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H13FN2O2S/c15-12-6-7-13(16)14(10-12)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-10,17H,16H2
InChIKeyHWTPNCLODOLJHC-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.82
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide

N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide (PubChem CID 76991022) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide
PubChem CID76991022
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC NameN-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H13FN2O2S/c15-12-6-7-13(16)14(10-12)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-10,17H,16H2
InChIKeyHWTPNCLODOLJHC-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.82
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

(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 26969723
(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
CID 25335043
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42644607
(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
CID 8538690
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60533207
N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 63257611
N-(2-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 47148674
N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide
CID 4964090
(E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylethenesulfonamide
CID 17419276
5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42646502
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide (CID 76991022) is N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide is Nc1ccc(F)cc1NS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide?
The InChIKey is HWTPNCLODOLJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-12-6-7-13(16)14(10-12)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-10,17H,16H2.
What are the key properties of N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide?
N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide has a molecular weight of 292.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 76991022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).