1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide

C12H13N3O2S — CID 172725862

IUPAC1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)Nc2ncc3ccccc3n2)CC1
InChIInChI=1S/C12H13N3O2S/c1-12(6-7-12)18(16,17)15-11-13-8-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3,(H,13,14,15)
InChIKeyHDGIZYMWDCUZHV-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.92
Rot. Bonds3

About 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide

1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide (PubChem CID 172725862) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide
PubChem CID172725862
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)Nc2ncc3ccccc3n2)CC1
InChIInChI=1S/C12H13N3O2S/c1-12(6-7-12)18(16,17)15-11-13-8-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3,(H,13,14,15)
InChIKeyHDGIZYMWDCUZHV-UHFFFAOYSA-N
XLogP1.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide?
The IUPAC name of 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide (CID 172725862) is 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide.
What is the SMILES notation for 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide?
The canonical SMILES for 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide is CC1(S(=O)(=O)Nc2ncc3ccccc3n2)CC1.
What is the InChIKey of 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide?
The InChIKey is HDGIZYMWDCUZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-12(6-7-12)18(16,17)15-11-13-8-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3,(H,13,14,15).
What are the key properties of 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide?
1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide is sourced from PubChem (CID 172725862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).