N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide

C26H31ClN4O2S — CID 134344518

IUPACN-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
SMILESCCC1(C)CCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4c(C)cccc4C)n3)n2)CC1
InChIInChI=1S/C26H31ClN4O2S/c1-5-26(4)14-16-31(17-15-26)22-10-7-11-23(29-22)34(32,33)30-21-13-12-20(27)25(28-21)24-18(2)8-6-9-19(24)3/h6-13H,5,14-17H2,1-4H3,(H,28,30)
InChIKeyVUGOWLQRENQITG-UHFFFAOYSA-N
MW499.08 g/mol
LogP6.23
Rot. Bonds6

About N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide

N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide (PubChem CID 134344518) has the molecular formula C26H31ClN4O2S and a molecular weight of 499.08 g/mol. Its IUPAC name is N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
PubChem CID134344518
Molecular FormulaC26H31ClN4O2S
Molecular Weight499.08 g/mol
Exact Mass498.19
IUPAC NameN-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
SMILESCCC1(C)CCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4c(C)cccc4C)n3)n2)CC1
InChIInChI=1S/C26H31ClN4O2S/c1-5-26(4)14-16-31(17-15-26)22-10-7-11-23(29-22)34(32,33)30-21-13-12-20(27)25(28-21)24-18(2)8-6-9-19(24)3/h6-13H,5,14-17H2,1-4H3,(H,28,30)
InChIKeyVUGOWLQRENQITG-UHFFFAOYSA-N
XLogP6.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.08
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide?
The IUPAC name of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide (CID 134344518) is N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide is CCC1(C)CCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4c(C)cccc4C)n3)n2)CC1.
What is the InChIKey of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide?
The InChIKey is VUGOWLQRENQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2S/c1-5-26(4)14-16-31(17-15-26)22-10-7-11-23(29-22)34(32,33)30-21-13-12-20(27)25(28-21)24-18(2)8-6-9-19(24)3/h6-13H,5,14-17H2,1-4H3,(H,28,30).
What are the key properties of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide?
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide has a molecular weight of 499.08 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 134344518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).