N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C18H22Cl2N4O2S — CID 133307787

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC(Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O2S/c1-13(15-4-3-5-16(19)18(15)20)22-17-7-6-14(12-21-17)27(25,26)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyKIMCYKYMGVDUDD-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133307787) has the molecular formula C18H22Cl2N4O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133307787
Molecular FormulaC18H22Cl2N4O2S
Molecular Weight429.37 g/mol
Exact Mass428.08
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC(Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O2S/c1-13(15-4-3-5-16(19)18(15)20)22-17-7-6-14(12-21-17)27(25,26)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyKIMCYKYMGVDUDD-UHFFFAOYSA-N
XLogP3.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-[1-(2,3-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 103776344
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133477635
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784
N-[1-(4-methylmorpholin-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133386475
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133307787) is N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CC(Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is KIMCYKYMGVDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2S/c1-13(15-4-3-5-16(19)18(15)20)22-17-7-6-14(12-21-17)27(25,26)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 429.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133307787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).