N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide

C19H23FN2O3S — CID 149027225

IUPACN-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
SMILESCNCC(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C)c2)c1
InChIInChI=1S/C19H23FN2O3S/c1-13(11-21-3)12-26(24,25)17-6-4-5-15(10-17)19(23)22-16-7-8-18(20)14(2)9-16/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyQEQKBTPZCYUBRA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.02
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide

N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide (PubChem CID 149027225) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
PubChem CID149027225
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
SMILESCNCC(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C)c2)c1
InChIInChI=1S/C19H23FN2O3S/c1-13(11-21-3)12-26(24,25)17-6-4-5-15(10-17)19(23)22-16-7-8-18(20)14(2)9-16/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyQEQKBTPZCYUBRA-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-3-[3-[(4-fluoro-3-methylphenyl)carbamoyl]phenyl]sulfonyl-2-methylpropyl]carbamate
CID 160774913
N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide
CID 149288991
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
CID 159659770
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
CID 90075165
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide (CID 149027225) is N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide is CNCC(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C)c2)c1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide?
The InChIKey is QEQKBTPZCYUBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13(11-21-3)12-26(24,25)17-6-4-5-15(10-17)19(23)22-16-7-8-18(20)14(2)9-16/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide?
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide is sourced from PubChem (CID 149027225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).