N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide

C24H28N2O3S — CID 71543524

IUPACN-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
SMILESCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3ccncc3)cc2)c(C)c1
InChIInChI=1S/C24H28N2O3S/c1-18(2)16-26(24-10-5-19(3)15-20(24)4)30(27,28)23-8-6-22(7-9-23)29-17-21-11-13-25-14-12-21/h5-15,18H,16-17H2,1-4H3
InChIKeyCBBTUIHEAVYTPE-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.13
Rot. Bonds8

About N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide

N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide (PubChem CID 71543524) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
PubChem CID71543524
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
SMILESCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3ccncc3)cc2)c(C)c1
InChIInChI=1S/C24H28N2O3S/c1-18(2)16-26(24-10-5-19(3)15-20(24)4)30(27,28)23-8-6-22(7-9-23)29-17-21-11-13-25-14-12-21/h5-15,18H,16-17H2,1-4H3
InChIKeyCBBTUIHEAVYTPE-UHFFFAOYSA-N
XLogP5.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide (CID 71543524) is N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide is Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3ccncc3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide?
The InChIKey is CBBTUIHEAVYTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-18(2)16-26(24-10-5-19(3)15-20(24)4)30(27,28)23-8-6-22(7-9-23)29-17-21-11-13-25-14-12-21/h5-15,18H,16-17H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide?
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 71543524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).