2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride

C13H19ClFN3O3S — CID 119331434

IUPAC2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C13H18FN3O3S.ClH/c1-13(2,15)12(18)16-9-5-6-10(14)11(7-9)21(19,20)17-8-3-4-8;/h5-8,17H,3-4,15H2,1-2H3,(H,16,18);1H
InChIKeyQDGBPIHYVWHDOF-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119331434) has the molecular formula C13H19ClFN3O3S and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
PubChem CID119331434
Molecular FormulaC13H19ClFN3O3S
Molecular Weight351.83 g/mol
Exact Mass351.08
IUPAC Name2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C13H18FN3O3S.ClH/c1-13(2,15)12(18)16-9-5-6-10(14)11(7-9)21(19,20)17-8-3-4-8;/h5-8,17H,3-4,15H2,1-2H3,(H,16,18);1H
InChIKeyQDGBPIHYVWHDOF-UHFFFAOYSA-N
XLogP1.36
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119331454
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methyloxolane-2-carboxamide
CID 119042556
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-phenylpropanamide;hydrochloride
CID 119331442
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119331430
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
CID 119797457
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 75400069
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
CID 62315656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride (CID 119331434) is 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is QDGBPIHYVWHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S.ClH/c1-13(2,15)12(18)16-9-5-6-10(14)11(7-9)21(19,20)17-8-3-4-8;/h5-8,17H,3-4,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119331434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).