N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride

C12H19ClFN3O3S — CID 119582617

IUPACN-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C12H18FN3O3S.ClH/c1-8(7-14)16(2)12(17)9-4-5-10(13)11(6-9)15-20(3,18)19;/h4-6,8,15H,7,14H2,1-3H3;1H
InChIKeySWHOOPSXMDOCGB-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.04
Rot. Bonds5

About N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride (PubChem CID 119582617) has the molecular formula C12H19ClFN3O3S and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
PubChem CID119582617
Molecular FormulaC12H19ClFN3O3S
Molecular Weight339.82 g/mol
Exact Mass339.08
IUPAC NameN-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C12H18FN3O3S.ClH/c1-8(7-14)16(2)12(17)9-4-5-10(13)11(6-9)15-20(3,18)19;/h4-6,8,15H,7,14H2,1-3H3;1H
InChIKeySWHOOPSXMDOCGB-UHFFFAOYSA-N
XLogP1.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
CID 119582618
3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 119582598
2-[butan-2-yl-[4-fluoro-3-(methanesulfonamido)benzoyl]amino]acetic acid
CID 119955015
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride (CID 119582617) is N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride is CC(CN)N(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
The InChIKey is SWHOOPSXMDOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S.ClH/c1-8(7-14)16(2)12(17)9-4-5-10(13)11(6-9)15-20(3,18)19;/h4-6,8,15H,7,14H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119582617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).