1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

C19H27ClFN3O3S — CID 112770532

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C19H27ClFN3O3S/c1-22-9-7-15(8-10-22)23(2)19(25)14-5-11-24(12-6-14)28(26,27)16-3-4-18(21)17(20)13-16/h3-4,13-15H,5-12H2,1-2H3
InChIKeyVSBXJVVOIGHZOY-UHFFFAOYSA-N
MW431.96 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 112770532) has the molecular formula C19H27ClFN3O3S and a molecular weight of 431.96 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID112770532
Molecular FormulaC19H27ClFN3O3S
Molecular Weight431.96 g/mol
Exact Mass431.14
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C19H27ClFN3O3S/c1-22-9-7-15(8-10-22)23(2)19(25)14-5-11-24(12-6-14)28(26,27)16-3-4-18(21)17(20)13-16/h3-4,13-15H,5-12H2,1-2H3
InChIKeyVSBXJVVOIGHZOY-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide 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

1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 46555058
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-bis(cyanomethyl)piperidine-4-carboxamide
CID 60612819
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
N-cyclohexyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 51147994
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3846784
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (CID 112770532) is 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is CN1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is VSBXJVVOIGHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O3S/c1-22-9-7-15(8-10-22)23(2)19(25)14-5-11-24(12-6-14)28(26,27)16-3-4-18(21)17(20)13-16/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 431.96 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 112770532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).