2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide

C10H10FN3O3S — CID 63239306

IUPAC2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(N)=O
InChIInChI=1S/C10H10FN3O3S/c1-6(10(13)15)14-18(16,17)8-2-3-9(11)7(4-8)5-12/h2-4,6,14H,1H3,(H2,13,15)
InChIKeyUXUFUADLXXDBTN-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.15
Rot. Bonds4

About 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide

2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 63239306) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
PubChem CID63239306
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(N)=O
InChIInChI=1S/C10H10FN3O3S/c1-6(10(13)15)14-18(16,17)8-2-3-9(11)7(4-8)5-12/h2-4,6,14H,1H3,(H2,13,15)
InChIKeyUXUFUADLXXDBTN-UHFFFAOYSA-N
XLogP-0.15
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 79011250
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233
(2R)-4-amino-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 104935170
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 63288060
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-cyano-4-fluoro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854815
3-cyano-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 115662785
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933845
methyl (2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]propanoate
CID 87040378
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
3-cyano-4-fluoro-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 115669263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide (CID 63239306) is 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(N)=O.
What is the InChIKey of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is UXUFUADLXXDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-6(10(13)15)14-18(16,17)8-2-3-9(11)7(4-8)5-12/h2-4,6,14H,1H3,(H2,13,15).
What are the key properties of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide?
2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 271.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 63239306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).