4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride

C22H29ClFN3O3S — CID 167339835

IUPAC4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N[C@H](C)C2CCNCC2)ccc1NC(=O)c1ccc(F)cc1C.Cl
InChIInChI=1S/C22H28FN3O3S.ClH/c1-14-12-18(23)4-6-20(14)22(27)25-21-7-5-19(13-15(21)2)30(28,29)26-16(3)17-8-10-24-11-9-17;/h4-7,12-13,16-17,24,26H,8-11H2,1-3H3,(H,25,27);1H/t16-;/m1./s1
InChIKeyAQBQOXPUKKZTIY-PKLMIRHRSA-N
MW470.01 g/mol
LogP3.78
Rot. Bonds6

About 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride

4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride (PubChem CID 167339835) has the molecular formula C22H29ClFN3O3S and a molecular weight of 470.01 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
PubChem CID167339835
Molecular FormulaC22H29ClFN3O3S
Molecular Weight470.01 g/mol
Exact Mass469.16
IUPAC Name4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N[C@H](C)C2CCNCC2)ccc1NC(=O)c1ccc(F)cc1C.Cl
InChIInChI=1S/C22H28FN3O3S.ClH/c1-14-12-18(23)4-6-20(14)22(27)25-21-7-5-19(13-15(21)2)30(28,29)26-16(3)17-8-10-24-11-9-17;/h4-7,12-13,16-17,24,26H,8-11H2,1-3H3,(H,25,27);1H/t16-;/m1./s1
InChIKeyAQBQOXPUKKZTIY-PKLMIRHRSA-N
XLogP3.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 167339751
N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]cyclohexanecarboxamide
CID 166926104
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
CID 167339788
N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 166926102
N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339910
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate;hydrochloride
CID 168763736
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride (CID 167339835) is 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride is Cc1cc(S(=O)(=O)N[C@H](C)C2CCNCC2)ccc1NC(=O)c1ccc(F)cc1C.Cl.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride?
The InChIKey is AQBQOXPUKKZTIY-PKLMIRHRSA-N. The full InChI is InChI=1S/C22H28FN3O3S.ClH/c1-14-12-18(23)4-6-20(14)22(27)25-21-7-5-19(13-15(21)2)30(28,29)26-16(3)17-8-10-24-11-9-17;/h4-7,12-13,16-17,24,26H,8-11H2,1-3H3,(H,25,27);1H/t16-;/m1./s1.
What are the key properties of 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride?
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride has a molecular weight of 470.01 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 167339835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).