4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C16H23ClF3N3O3S — CID 119979610

IUPAC4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)11-21-15(23)13-3-5-14(6-4-13)26(24,25)22-9-7-12-2-1-8-20-10-12;/h3-6,12,20,22H,1-2,7-11H2,(H,21,23);1H
InChIKeyHVBMRFMNYLNSJF-UHFFFAOYSA-N
MW429.89 g/mol
LogP2.07
Rot. Bonds7

About 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119979610) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119979610
Molecular FormulaC16H23ClF3N3O3S
Molecular Weight429.89 g/mol
Exact Mass429.11
IUPAC Name4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)11-21-15(23)13-3-5-14(6-4-13)26(24,25)22-9-7-12-2-1-8-20-10-12;/h3-6,12,20,22H,1-2,7-11H2,(H,21,23);1H
InChIKeyHVBMRFMNYLNSJF-UHFFFAOYSA-N
XLogP2.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119979610) is 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is Cl.O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCC2CCCNC2)cc1.
What is the InChIKey of 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is HVBMRFMNYLNSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)11-21-15(23)13-3-5-14(6-4-13)26(24,25)22-9-7-12-2-1-8-20-10-12;/h3-6,12,20,22H,1-2,7-11H2,(H,21,23);1H.
What are the key properties of 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 429.89 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119979610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).