N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

C17H18ClFN2O3S2 — CID 17482603

IUPACN-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H18ClFN2O3S2/c18-14-3-1-4-15(19)13(14)11-16(22)21-8-6-12(7-9-21)20-26(23,24)17-5-2-10-25-17/h1-5,10,12,20H,6-9,11H2
InChIKeySIBLERBUHWFGAO-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.05
Rot. Bonds5

About N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 17482603) has the molecular formula C17H18ClFN2O3S2 and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID17482603
Molecular FormulaC17H18ClFN2O3S2
Molecular Weight416.93 g/mol
Exact Mass416.04
IUPAC NameN-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H18ClFN2O3S2/c18-14-3-1-4-15(19)13(14)11-16(22)21-8-6-12(7-9-21)20-26(23,24)17-5-2-10-25-17/h1-5,10,12,20H,6-9,11H2
InChIKeySIBLERBUHWFGAO-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247049
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
CID 38171192
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
2-(2-chloro-6-fluorophenyl)-1-[(7R)-1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl]ethanone
CID 129357526
2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108558668
2-(2-chloro-6-fluorophenyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 37416921
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 17482603) is N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is O=C(Cc1c(F)cccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is SIBLERBUHWFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S2/c18-14-3-1-4-15(19)13(14)11-16(22)21-8-6-12(7-9-21)20-26(23,24)17-5-2-10-25-17/h1-5,10,12,20H,6-9,11H2.
What are the key properties of N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 416.93 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 17482603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).