3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride

C18H20ClF2N3O3S — CID 119427476

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-16-7-6-15(10-17(16)20)27(25,26)23-13-4-1-3-12(9-13)18(24)22-14-5-2-8-21-11-14;/h1,3-4,6-7,9-10,14,21,23H,2,5,8,11H2,(H,22,24);1H
InChIKeyMMFCARBKBLTTIS-UHFFFAOYSA-N
MW431.89 g/mol
LogP2.67
Rot. Bonds5

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride

3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119427476) has the molecular formula C18H20ClF2N3O3S and a molecular weight of 431.89 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119427476
Molecular FormulaC18H20ClF2N3O3S
Molecular Weight431.89 g/mol
Exact Mass431.09
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-16-7-6-15(10-17(16)20)27(25,26)23-13-4-1-3-12(9-13)18(24)22-14-5-2-8-21-11-14;/h1,3-4,6-7,9-10,14,21,23H,2,5,8,11H2,(H,22,24);1H
InChIKeyMMFCARBKBLTTIS-UHFFFAOYSA-N
XLogP2.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513016
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
4-[(2-fluorophenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119428717
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride (CID 119427476) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is MMFCARBKBLTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S.ClH/c19-16-7-6-15(10-17(16)20)27(25,26)23-13-4-1-3-12(9-13)18(24)22-14-5-2-8-21-11-14;/h1,3-4,6-7,9-10,14,21,23H,2,5,8,11H2,(H,22,24);1H.
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride?
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 431.89 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119427476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).