4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C15H19N3O2S — CID 778376

IUPAC4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-11(2)10-13-4-6-14(7-5-13)21(19,20)18-15-16-9-8-12(3)17-15/h4-9,11H,10H2,1-3H3,(H,16,17,18)
InChIKeyIGPRMFBPPJVUSB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds5

About 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 778376) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID778376
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-11(2)10-13-4-6-14(7-5-13)21(19,20)18-15-16-9-8-12(3)17-15/h4-9,11H,10H2,1-3H3,(H,16,17,18)
InChIKeyIGPRMFBPPJVUSB-UHFFFAOYSA-N
XLogP2.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 778376) is 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is IGPRMFBPPJVUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(2)10-13-4-6-14(7-5-13)21(19,20)18-15-16-9-8-12(3)17-15/h4-9,11H,10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 778376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).