N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide

C8H7F2N3O2S — CID 43550801

IUPACN-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1cc(N)ccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H7F2N3O2S/c9-8(10)16(14,15)13-7-2-1-6(12)3-5(7)4-11/h1-3,8,13H,12H2
InChIKeyMITIXMLOEXGPSN-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.10
Rot. Bonds3

About N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide

N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 43550801) has the molecular formula C8H7F2N3O2S and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide
PubChem CID43550801
Molecular FormulaC8H7F2N3O2S
Molecular Weight247.23 g/mol
Exact Mass247.02
IUPAC NameN-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1cc(N)ccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H7F2N3O2S/c9-8(10)16(14,15)13-7-2-1-6(12)3-5(7)4-11/h1-3,8,13H,12H2
InChIKeyMITIXMLOEXGPSN-UHFFFAOYSA-N
XLogP1.10
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 107808248
N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide
CID 43550792
4-amino-2-(difluoromethylsulfonylamino)benzoic acid
CID 63116164
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
N-(4-amino-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 43550814
ethyl 2-[(4-amino-2-cyanophenyl)sulfamoyl]acetate
CID 61456595
N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929854
N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 62315969
N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272
N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988390
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide (CID 43550801) is N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide is N#Cc1cc(N)ccc1NS(=O)(=O)C(F)F.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is MITIXMLOEXGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O2S/c9-8(10)16(14,15)13-7-2-1-6(12)3-5(7)4-11/h1-3,8,13H,12H2.
What are the key properties of N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide?
N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 247.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43550801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).