N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride

C16H23ClFN3O4S — CID 119265800

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCNCC1
InChIInChI=1S/C16H22FN3O4S.ClH/c17-14-2-1-13(19-16(21)12-3-5-18-6-4-12)11-15(14)25(22,23)20-7-9-24-10-8-20;/h1-2,11-12,18H,3-10H2,(H,19,21);1H
InChIKeyKZCXVXDLJICQID-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.21
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119265800) has the molecular formula C16H23ClFN3O4S and a molecular weight of 407.90 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119265800
Molecular FormulaC16H23ClFN3O4S
Molecular Weight407.90 g/mol
Exact Mass407.11
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCNCC1
InChIInChI=1S/C16H22FN3O4S.ClH/c17-14-2-1-13(19-16(21)12-3-5-18-6-4-12)11-15(14)25(22,23)20-7-9-24-10-8-20;/h1-2,11-12,18H,3-10H2,(H,19,21);1H
InChIKeyKZCXVXDLJICQID-UHFFFAOYSA-N
XLogP1.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119679004
2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974368
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605523
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42908243
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride (CID 119265800) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCNCC1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is KZCXVXDLJICQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S.ClH/c17-14-2-1-13(19-16(21)12-3-5-18-6-4-12)11-15(14)25(22,23)20-7-9-24-10-8-20;/h1-2,11-12,18H,3-10H2,(H,19,21);1H.
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119265800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).