N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride

C18H23ClFN3O3S — CID 119504864

IUPACN-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C.Cl
InChIInChI=1S/C18H22FN3O3S.ClH/c1-3-20-10-11-21-18(23)15-6-4-5-7-16(15)22-26(24,25)17-9-8-14(19)12-13(17)2;/h4-9,12,20,22H,3,10-11H2,1-2H3,(H,21,23);1H
InChIKeyLMRHYZDNVOWYPN-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.70
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride (PubChem CID 119504864) has the molecular formula C18H23ClFN3O3S and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
PubChem CID119504864
Molecular FormulaC18H23ClFN3O3S
Molecular Weight415.92 g/mol
Exact Mass415.11
IUPAC NameN-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C.Cl
InChIInChI=1S/C18H22FN3O3S.ClH/c1-3-20-10-11-21-18(23)15-6-4-5-7-16(15)22-26(24,25)17-9-8-14(19)12-13(17)2;/h4-9,12,20,22H,3,10-11H2,1-2H3,(H,21,23);1H
InChIKeyLMRHYZDNVOWYPN-UHFFFAOYSA-N
XLogP2.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120829039
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
[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
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride (CID 119504864) is N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride is CCNCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride?
The InChIKey is LMRHYZDNVOWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S.ClH/c1-3-20-10-11-21-18(23)15-6-4-5-7-16(15)22-26(24,25)17-9-8-14(19)12-13(17)2;/h4-9,12,20,22H,3,10-11H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride is sourced from PubChem (CID 119504864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).