4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C16H20N2O2S — CID 768838

IUPAC4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12(2)10-14-4-6-15(7-5-14)21(19,20)18-16-11-13(3)8-9-17-16/h4-9,11-12H,10H2,1-3H3,(H,17,18)
InChIKeyUWCJBZQBRUQJTF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.39
Rot. Bonds5

About 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide

4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 768838) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID768838
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12(2)10-14-4-6-15(7-5-14)21(19,20)18-16-11-13(3)8-9-17-16/h4-9,11-12H,10H2,1-3H3,(H,17,18)
InChIKeyUWCJBZQBRUQJTF-UHFFFAOYSA-N
XLogP3.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 768838) is 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is UWCJBZQBRUQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)10-14-4-6-15(7-5-14)21(19,20)18-16-11-13(3)8-9-17-16/h4-9,11-12H,10H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 768838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).