5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride

C13H19ClFN3O3S — CID 119424450

IUPAC5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(F)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C13H18FN3O3S.ClH/c1-21(19,20)17-12-5-4-9(14)7-11(12)13(18)16-10-3-2-6-15-8-10;/h4-5,7,10,15,17H,2-3,6,8H2,1H3,(H,16,18);1H
InChIKeyBGQZEYPMYHCVSL-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.10
Rot. Bonds4

About 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride

5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119424450) has the molecular formula C13H19ClFN3O3S and a molecular weight of 351.83 g/mol. Its IUPAC name is 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119424450
Molecular FormulaC13H19ClFN3O3S
Molecular Weight351.83 g/mol
Exact Mass351.08
IUPAC Name5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(F)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C13H18FN3O3S.ClH/c1-21(19,20)17-12-5-4-9(14)7-11(12)13(18)16-10-3-2-6-15-8-10;/h4-5,7,10,15,17H,2-3,6,8H2,1H3,(H,16,18);1H
InChIKeyBGQZEYPMYHCVSL-UHFFFAOYSA-N
XLogP1.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453672
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-fluorophenyl]methanesulfonamide
CID 120658943
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426358
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride (CID 119424450) is 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride is CS(=O)(=O)Nc1ccc(F)cc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is BGQZEYPMYHCVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S.ClH/c1-21(19,20)17-12-5-4-9(14)7-11(12)13(18)16-10-3-2-6-15-8-10;/h4-5,7,10,15,17H,2-3,6,8H2,1H3,(H,16,18);1H.
What are the key properties of 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride?
5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119424450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).