N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide

C17H18ClFN2O3S2 — CID 49460434

IUPACN-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)s1
InChIInChI=1S/C17H18ClFN2O3S2/c1-11-2-4-15(25-11)17(22)20-13-6-8-21(9-7-13)26(23,24)16-5-3-12(19)10-14(16)18/h2-5,10,13H,6-9H2,1H3,(H,20,22)
InChIKeyHUOQHLYQLMLFDQ-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 49460434) has the molecular formula C17H18ClFN2O3S2 and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID49460434
Molecular FormulaC17H18ClFN2O3S2
Molecular Weight416.93 g/mol
Exact Mass416.04
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)s1
InChIInChI=1S/C17H18ClFN2O3S2/c1-11-2-4-15(25-11)17(22)20-13-6-8-21(9-7-13)26(23,24)16-5-3-12(19)10-14(16)18/h2-5,10,13H,6-9H2,1H3,(H,20,22)
InChIKeyHUOQHLYQLMLFDQ-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49460452
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
N-[1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 86948304
3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 46419737
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol
CID 139017970

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 49460434) is N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)s1.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is HUOQHLYQLMLFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S2/c1-11-2-4-15(25-11)17(22)20-13-6-8-21(9-7-13)26(23,24)16-5-3-12(19)10-14(16)18/h2-5,10,13H,6-9H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 416.93 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 49460434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).