N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide

C10H13FN2O3S2 — CID 61129999

IUPACN-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C10H13FN2O3S2/c1-17-5-4-10(14)13-9-6-7(18(12,15)16)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDBIVLJFBJVPAIL-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.16
Rot. Bonds5

About N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide

N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide (PubChem CID 61129999) has the molecular formula C10H13FN2O3S2 and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
PubChem CID61129999
Molecular FormulaC10H13FN2O3S2
Molecular Weight292.36 g/mol
Exact Mass292.04
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C10H13FN2O3S2/c1-17-5-4-10(14)13-9-6-7(18(12,15)16)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDBIVLJFBJVPAIL-UHFFFAOYSA-N
XLogP1.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876358
3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
CID 9302673
N-(3-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61132513
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
CID 9257647
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide (CID 61129999) is N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide?
The InChIKey is DBIVLJFBJVPAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S2/c1-17-5-4-10(14)13-9-6-7(18(12,15)16)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide?
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide has a molecular weight of 292.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 61129999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).