N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride

C12H17ClN4O2S — CID 155519429

IUPACN-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc2nc(N)ncc2c1.Cl
InChIInChI=1S/C12H16N4O2S.ClH/c1-2-3-6-19(17,18)16-10-4-5-11-9(7-10)8-14-12(13)15-11;/h4-5,7-8,16H,2-3,6H2,1H3,(H2,13,14,15);1H
InChIKeyUKZWETOZJFPMHZ-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.18
Rot. Bonds5

About N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride

N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride (PubChem CID 155519429) has the molecular formula C12H17ClN4O2S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride
PubChem CID155519429
Molecular FormulaC12H17ClN4O2S
Molecular Weight316.81 g/mol
Exact Mass316.08
IUPAC NameN-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc2nc(N)ncc2c1.Cl
InChIInChI=1S/C12H16N4O2S.ClH/c1-2-3-6-19(17,18)16-10-4-5-11-9(7-10)8-14-12(13)15-11;/h4-5,7-8,16H,2-3,6H2,1H3,(H2,13,14,15);1H
InChIKeyUKZWETOZJFPMHZ-UHFFFAOYSA-N
XLogP2.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride (CID 155519429) is N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride is CCCCS(=O)(=O)Nc1ccc2nc(N)ncc2c1.Cl.
What is the InChIKey of N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride?
The InChIKey is UKZWETOZJFPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S.ClH/c1-2-3-6-19(17,18)16-10-4-5-11-9(7-10)8-14-12(13)15-11;/h4-5,7-8,16H,2-3,6H2,1H3,(H2,13,14,15);1H.
What are the key properties of N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride?
N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride has a molecular weight of 316.81 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoquinazolin-6-yl)butane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 155519429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).