N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide

C16H14FN3O2S — CID 173248714

IUPACN-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide
SMILESN#Cc1c(NS(=O)(=O)C2CC2)ccc(F)c1-c1ccccc1N
InChIInChI=1S/C16H14FN3O2S/c17-13-7-8-15(20-23(21,22)10-5-6-10)12(9-18)16(13)11-3-1-2-4-14(11)19/h1-4,7-8,10,20H,5-6,19H2
InChIKeyNFLQZSHJQGNKPJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.85
Rot. Bonds4

About N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide

N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide (PubChem CID 173248714) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide
PubChem CID173248714
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide
SMILESN#Cc1c(NS(=O)(=O)C2CC2)ccc(F)c1-c1ccccc1N
InChIInChI=1S/C16H14FN3O2S/c17-13-7-8-15(20-23(21,22)10-5-6-10)12(9-18)16(13)11-3-1-2-4-14(11)19/h1-4,7-8,10,20H,5-6,19H2
InChIKeyNFLQZSHJQGNKPJ-UHFFFAOYSA-N
XLogP2.85
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide (CID 173248714) is N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide is N#Cc1c(NS(=O)(=O)C2CC2)ccc(F)c1-c1ccccc1N.
What is the InChIKey of N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide?
The InChIKey is NFLQZSHJQGNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-13-7-8-15(20-23(21,22)10-5-6-10)12(9-18)16(13)11-3-1-2-4-14(11)19/h1-4,7-8,10,20H,5-6,19H2.
What are the key properties of N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide?
N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 173248714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).