N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride

C18H21ClFN3O3S — CID 119264337

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C18H20FN3O3S.ClH/c19-14-5-7-15(8-6-14)26(24,25)22-17-4-2-1-3-16(17)21-18(23)13-9-11-20-12-10-13;/h1-8,13,20,22H,9-12H2,(H,21,23);1H
InChIKeyGMUUKRTVRXSCSC-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119264337) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119264337
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C18H20FN3O3S.ClH/c19-14-5-7-15(8-6-14)26(24,25)22-17-4-2-1-3-16(17)21-18(23)13-9-11-20-12-10-13;/h1-8,13,20,22H,9-12H2,(H,21,23);1H
InChIKeyGMUUKRTVRXSCSC-UHFFFAOYSA-N
XLogP2.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide
CID 119676621
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119340819
2-(cyclopropylmethylamino)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 119676625
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119264337) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is GMUUKRTVRXSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S.ClH/c19-14-5-7-15(8-6-14)26(24,25)22-17-4-2-1-3-16(17)21-18(23)13-9-11-20-12-10-13;/h1-8,13,20,22H,9-12H2,(H,21,23);1H.
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119264337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).