N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide

C17H18N4O3S — CID 146161376

IUPACN-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H18N4O3S/c1-17(2,3)21-25(23,24)12-8-11(9-18-10-12)15-19-14-7-5-4-6-13(14)16(22)20-15/h4-10,21H,1-3H3,(H,19,20,22)
InChIKeyWFBHVUPLJPRXOB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.06
Rot. Bonds3

About N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide

N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide (PubChem CID 146161376) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide
PubChem CID146161376
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H18N4O3S/c1-17(2,3)21-25(23,24)12-8-11(9-18-10-12)15-19-14-7-5-4-6-13(14)16(22)20-15/h4-10,21H,1-3H3,(H,19,20,22)
InChIKeyWFBHVUPLJPRXOB-UHFFFAOYSA-N
XLogP2.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide (CID 146161376) is N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1cncc(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide?
The InChIKey is WFBHVUPLJPRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-17(2,3)21-25(23,24)12-8-11(9-18-10-12)15-19-14-7-5-4-6-13(14)16(22)20-15/h4-10,21H,1-3H3,(H,19,20,22).
What are the key properties of N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide?
N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-oxo-3H-quinazolin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 146161376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).