2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide

C18H22FN3O3S — CID 120829039

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C18H22FN3O3S/c1-12-10-14(19)8-9-17(12)26(24,25)22-16-7-5-4-6-15(16)18(23)21-11-13(2)20-3/h4-10,13,20,22H,11H2,1-3H3,(H,21,23)
InChIKeyJGBPIQMMSZBODQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.27
Rot. Bonds7

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide (PubChem CID 120829039) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
PubChem CID120829039
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C18H22FN3O3S/c1-12-10-14(19)8-9-17(12)26(24,25)22-16-7-5-4-6-15(16)18(23)21-11-13(2)20-3/h4-10,13,20,22H,11H2,1-3H3,(H,21,23)
InChIKeyJGBPIQMMSZBODQ-UHFFFAOYSA-N
XLogP2.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287
N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119504864
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
[1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 18198922
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 9068321
N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
CID 2334103
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide (CID 120829039) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
The InChIKey is JGBPIQMMSZBODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-10-14(19)8-9-17(12)26(24,25)22-16-7-5-4-6-15(16)18(23)21-11-13(2)20-3/h4-10,13,20,22H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120829039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).