2-methyl-N-quinazolin-4-ylbenzenesulfonamide

C15H13N3O2S — CID 9267131

IUPAC2-methyl-N-quinazolin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncnc2ccccc12
InChIInChI=1S/C15H13N3O2S/c1-11-6-2-5-9-14(11)21(19,20)18-15-12-7-3-4-8-13(12)16-10-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyVVHDONCBBBDHQP-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-N-quinazolin-4-ylbenzenesulfonamide

2-methyl-N-quinazolin-4-ylbenzenesulfonamide (PubChem CID 9267131) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-methyl-N-quinazolin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-quinazolin-4-ylbenzenesulfonamide
PubChem CID9267131
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-methyl-N-quinazolin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncnc2ccccc12
InChIInChI=1S/C15H13N3O2S/c1-11-6-2-5-9-14(11)21(19,20)18-15-12-7-3-4-8-13(12)16-10-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyVVHDONCBBBDHQP-UHFFFAOYSA-N
XLogP2.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinazolin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-quinazolin-4-ylbenzenesulfonamide (CID 9267131) is 2-methyl-N-quinazolin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-quinazolin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-quinazolin-4-ylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ncnc2ccccc12.
What is the InChIKey of 2-methyl-N-quinazolin-4-ylbenzenesulfonamide?
The InChIKey is VVHDONCBBBDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-11-6-2-5-9-14(11)21(19,20)18-15-12-7-3-4-8-13(12)16-10-17-15/h2-10H,1H3,(H,16,17,18).
What are the key properties of 2-methyl-N-quinazolin-4-ylbenzenesulfonamide?
2-methyl-N-quinazolin-4-ylbenzenesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinazolin-4-ylbenzenesulfonamide is sourced from PubChem (CID 9267131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).