1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide

C18H21Cl2FN2O4S — CID 167573284

IUPAC1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
SMILESO=C(CNS(=O)(=O)C1CCN(C(=O)C2CCC2)CC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C18H21Cl2FN2O4S/c19-12-8-14(17(21)15(20)9-12)16(24)10-22-28(26,27)13-4-6-23(7-5-13)18(25)11-2-1-3-11/h8-9,11,13,22H,1-7,10H2
InChIKeyBHWDCSSVSWARKX-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.03
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide

1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide (PubChem CID 167573284) has the molecular formula C18H21Cl2FN2O4S and a molecular weight of 451.35 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
PubChem CID167573284
Molecular FormulaC18H21Cl2FN2O4S
Molecular Weight451.35 g/mol
Exact Mass450.06
IUPAC Name1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
SMILESO=C(CNS(=O)(=O)C1CCN(C(=O)C2CCC2)CC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C18H21Cl2FN2O4S/c19-12-8-14(17(21)15(20)9-12)16(24)10-22-28(26,27)13-4-6-23(7-5-13)18(25)11-2-1-3-11/h8-9,11,13,22H,1-7,10H2
InChIKeyBHWDCSSVSWARKX-UHFFFAOYSA-N
XLogP3.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167659738
N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
CID 167570070
N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167671598
3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
CID 134581051
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone
CID 55900630
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
cyclobutyl-[4-(3,4,6-trichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 56512019

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide (CID 167573284) is 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide is O=C(CNS(=O)(=O)C1CCN(C(=O)C2CCC2)CC1)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide?
The InChIKey is BHWDCSSVSWARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2FN2O4S/c19-12-8-14(17(21)15(20)9-12)16(24)10-22-28(26,27)13-4-6-23(7-5-13)18(25)11-2-1-3-11/h8-9,11,13,22H,1-7,10H2.
What are the key properties of 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide?
1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide has a molecular weight of 451.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide is sourced from PubChem (CID 167573284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).