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

C12H18FN3O3S — CID 119582618

IUPACN-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H18FN3O3S/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
InChIKeyCCENPHLZOHNENN-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.62
Rot. Bonds5

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

N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 119582618) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID119582618
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC NameN-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H18FN3O3S/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
InChIKeyCCENPHLZOHNENN-UHFFFAOYSA-N
XLogP0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119582617
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
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
2-[[4-fluoro-3-(methanesulfonamido)benzoyl]amino]-4-methylpentanoic acid
CID 119188500
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide (CID 119582618) is N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide is CC(CN)N(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is CCENPHLZOHNENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/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.
What are the key properties of N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 303.36 g/mol, XLogP of 0.62, 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 is sourced from PubChem (CID 119582618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).