N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C18H18ClFN2O3S — CID 26575157

IUPACN-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18ClFN2O3S/c19-14-6-2-3-7-16(14)21-18(23)13-8-9-15(20)17(12-13)26(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23)
InChIKeyIBLYKGXTFCBYON-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.91
Rot. Bonds4

About N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26575157) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26575157
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC NameN-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18ClFN2O3S/c19-14-6-2-3-7-16(14)21-18(23)13-8-9-15(20)17(12-13)26(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23)
InChIKeyIBLYKGXTFCBYON-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-4-fluorobenzamide
CID 4216299
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37024629
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55669763
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647835
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
CID 5008740
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
N-(4-chloro-2-fluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349261
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 26575157) is N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IBLYKGXTFCBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-14-6-2-3-7-16(14)21-18(23)13-8-9-15(20)17(12-13)26(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 396.87 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26575157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).