N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide

C14H12FN3O2S — CID 29031167

IUPACN-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H12FN3O2S/c15-13-6-5-12(17)7-14(13)18-21(19,20)9-11-4-2-1-3-10(11)8-16/h1-7,18H,9,17H2
InChIKeyIKYRTZHWJXMWLA-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.22
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide

N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 29031167) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
PubChem CID29031167
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H12FN3O2S/c15-13-6-5-12(17)7-14(13)18-21(19,20)9-11-4-2-1-3-10(11)8-16/h1-7,18H,9,17H2
InChIKeyIKYRTZHWJXMWLA-UHFFFAOYSA-N
XLogP2.22
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.22
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

1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
2-[(4-aminophenyl)sulfonylmethyl]benzonitrile
CID 61367448
2-[(4-amino-3-fluorophenyl)sulfonylmethyl]benzonitrile
CID 81191177
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
N-(5-amino-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185246

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide (CID 29031167) is N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is IKYRTZHWJXMWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-13-6-5-12(17)7-14(13)18-21(19,20)9-11-4-2-1-3-10(11)8-16/h1-7,18H,9,17H2.
What are the key properties of N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide?
N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 29031167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).