5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine

C18H23ClN4O4S — CID 155941623

IUPAC5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)cc1OC
InChIInChI=1S/C18H23ClN4O4S/c1-22(18-20-11-13(19)12-21-18)14-6-8-23(9-7-14)28(24,25)15-4-5-16(26-2)17(10-15)27-3/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyDSYXENBEUYDSFK-UHFFFAOYSA-N
MW426.93 g/mol
LogP2.44
Rot. Bonds6

About 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine

5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 155941623) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID155941623
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)cc1OC
InChIInChI=1S/C18H23ClN4O4S/c1-22(18-20-11-13(19)12-21-18)14-6-8-23(9-7-14)28(24,25)15-4-5-16(26-2)17(10-15)27-3/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyDSYXENBEUYDSFK-UHFFFAOYSA-N
XLogP2.44
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine 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

5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9021310
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine (CID 155941623) is 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine is COc1ccc(S(=O)(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)cc1OC.
What is the InChIKey of 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is DSYXENBEUYDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c1-22(18-20-11-13(19)12-21-18)14-6-8-23(9-7-14)28(24,25)15-4-5-16(26-2)17(10-15)27-3/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 426.93 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 155941623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).