[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C18H25Cl2N3O3S — CID 78769479

IUPAC[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1
InChIInChI=1S/C18H25Cl2N3O3S/c1-21-8-3-9-22(13-12-21)18(24)14-6-10-23(11-7-14)27(25,26)17-15(19)4-2-5-16(17)20/h2,4-5,14H,3,6-13H2,1H3
InChIKeyCVNYHXPOVCDHHU-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.56
Rot. Bonds3

About [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 78769479) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID78769479
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1
InChIInChI=1S/C18H25Cl2N3O3S/c1-21-8-3-9-22(13-12-21)18(24)14-6-10-23(11-7-14)27(25,26)17-15(19)4-2-5-16(17)20/h2,4-5,14H,3,6-13H2,1H3
InChIKeyCVNYHXPOVCDHHU-UHFFFAOYSA-N
XLogP2.56
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone 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

2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 55566414
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56509619
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9299449

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 78769479) is [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1.
What is the InChIKey of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is CVNYHXPOVCDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O3S/c1-21-8-3-9-22(13-12-21)18(24)14-6-10-23(11-7-14)27(25,26)17-15(19)4-2-5-16(17)20/h2,4-5,14H,3,6-13H2,1H3.
What are the key properties of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 434.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 78769479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).