2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide

C21H22N2O3S — CID 137396760

IUPAC2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-12-16(2)20(17(3)13-15)27(24,25)23-21-19(10-7-11-22-21)26-14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyKMGJRLCZNPDDLE-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.39
Rot. Bonds6

About 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide

2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide (PubChem CID 137396760) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
PubChem CID137396760
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-12-16(2)20(17(3)13-15)27(24,25)23-21-19(10-7-11-22-21)26-14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyKMGJRLCZNPDDLE-UHFFFAOYSA-N
XLogP4.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide (CID 137396760) is 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ncccc2OCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
The InChIKey is KMGJRLCZNPDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-12-16(2)20(17(3)13-15)27(24,25)23-21-19(10-7-11-22-21)26-14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 137396760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).