N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide

C17H22N2O2S — CID 778279

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C17H22N2O2S/c1-12(2)9-15-5-7-16(8-6-15)22(20,21)19-17-11-13(3)10-14(4)18-17/h5-8,10-12H,9H2,1-4H3,(H,18,19)
InChIKeyBBIGAWNYPXWWTI-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.70
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide

N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 778279) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID778279
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C17H22N2O2S/c1-12(2)9-15-5-7-16(8-6-15)22(20,21)19-17-11-13(3)10-14(4)18-17/h5-8,10-12H,9H2,1-4H3,(H,18,19)
InChIKeyBBIGAWNYPXWWTI-UHFFFAOYSA-N
XLogP3.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide (CID 778279) is N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is BBIGAWNYPXWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12(2)9-15-5-7-16(8-6-15)22(20,21)19-17-11-13(3)10-14(4)18-17/h5-8,10-12H,9H2,1-4H3,(H,18,19).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 778279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).