2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride

C18H23ClFN3O3S — CID 119432581

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1.Cl
InChIInChI=1S/C18H22FN3O3S.ClH/c1-13-12-14(8-9-16(13)19)26(24,25)22-17-7-4-3-6-15(17)18(23)21-11-5-10-20-2;/h3-4,6-9,12,20,22H,5,10-11H2,1-2H3,(H,21,23);1H
InChIKeyRCLZRCDCTVWBCK-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.70
Rot. Bonds8

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 119432581) has the molecular formula C18H23ClFN3O3S and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID119432581
Molecular FormulaC18H23ClFN3O3S
Molecular Weight415.92 g/mol
Exact Mass415.11
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1.Cl
InChIInChI=1S/C18H22FN3O3S.ClH/c1-13-12-14(8-9-16(13)19)26(24,25)22-17-7-4-3-6-15(17)18(23)21-11-5-10-20-2;/h3-4,6-9,12,20,22H,5,10-11H2,1-2H3,(H,21,23);1H
InChIKeyRCLZRCDCTVWBCK-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

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502213
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride (CID 119432581) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride is CNCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1.Cl.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is RCLZRCDCTVWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S.ClH/c1-13-12-14(8-9-16(13)19)26(24,25)22-17-7-4-3-6-15(17)18(23)21-11-5-10-20-2;/h3-4,6-9,12,20,22H,5,10-11H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]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 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119432581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).