N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C18H24N2O2S — CID 4796486

IUPACN,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)CCc2ccccn2)c1C
InChIInChI=1S/C18H24N2O2S/c1-13-12-14(2)16(4)18(15(13)3)23(21,22)20(5)11-9-17-8-6-7-10-19-17/h6-8,10,12H,9,11H2,1-5H3
InChIKeyRTNNNSQBFHHONC-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.18
Rot. Bonds5

About N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 4796486) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID4796486
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)CCc2ccccn2)c1C
InChIInChI=1S/C18H24N2O2S/c1-13-12-14(2)16(4)18(15(13)3)23(21,22)20(5)11-9-17-8-6-7-10-19-17/h6-8,10,12H,9,11H2,1-5H3
InChIKeyRTNNNSQBFHHONC-UHFFFAOYSA-N
XLogP3.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 4796486) is N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)CCc2ccccn2)c1C.
What is the InChIKey of N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is RTNNNSQBFHHONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-12-14(2)16(4)18(15(13)3)23(21,22)20(5)11-9-17-8-6-7-10-19-17/h6-8,10,12H,9,11H2,1-5H3.
What are the key properties of N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5,6-pentamethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4796486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).