3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride

C14H22ClFN2O3S — CID 120829254

IUPAC3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)CS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O3S.ClH/c1-10(14(18)17-8-11(2)16-3)9-21(19,20)13-6-4-12(15)5-7-13;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18);1H
InChIKeyARGZLEYZBJWKRP-UHFFFAOYSA-N
MW352.86 g/mol
LogP1.38
Rot. Bonds7

About 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride

3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120829254) has the molecular formula C14H22ClFN2O3S and a molecular weight of 352.86 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120829254
Molecular FormulaC14H22ClFN2O3S
Molecular Weight352.86 g/mol
Exact Mass352.10
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)CS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O3S.ClH/c1-10(14(18)17-8-11(2)16-3)9-21(19,20)13-6-4-12(15)5-7-13;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18);1H
InChIKeyARGZLEYZBJWKRP-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120830071
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 71856999
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119451309
(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 119366986
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
N-[N'-[(Z)-1-amino-1-cyano-3,3,3-trifluoroprop-1-en-2-yl]carbamimidoyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 144981964

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120829254) is 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)C(C)CS(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is ARGZLEYZBJWKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S.ClH/c1-10(14(18)17-8-11(2)16-3)9-21(19,20)13-6-4-12(15)5-7-13;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120829254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).