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N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride

C12H11ClN4O2S2 — CID 155537094

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.Nc1ncc2cc(NS(=O)(=O)c3cccs3)ccc2n1
InChIInChI=1S/C12H10N4O2S2.ClH/c13-12-14-7-8-6-9(3-4-10(8)15-12)16-20(17,18)11-2-1-5-19-11;/h1-7,16H,(H2,13,14,15);1H
InChIKeyWNZVQUDEHVXWMN-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.50
Rot. Bonds3

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

N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 155537094) has the molecular formula C12H11ClN4O2S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID155537094
Molecular FormulaC12H11ClN4O2S2
Molecular Weight342.83 g/mol
Exact Mass342.00
IUPAC NameN-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.Nc1ncc2cc(NS(=O)(=O)c3cccs3)ccc2n1
InChIInChI=1S/C12H10N4O2S2.ClH/c13-12-14-7-8-6-9(3-4-10(8)15-12)16-20(17,18)11-2-1-5-19-11;/h1-7,16H,(H2,13,14,15);1H
InChIKeyWNZVQUDEHVXWMN-UHFFFAOYSA-N
XLogP2.50
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride (CID 155537094) is N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride is Cl.Nc1ncc2cc(NS(=O)(=O)c3cccs3)ccc2n1.
What is the InChIKey of N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is WNZVQUDEHVXWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2.ClH/c13-12-14-7-8-6-9(3-4-10(8)15-12)16-20(17,18)11-2-1-5-19-11;/h1-7,16H,(H2,13,14,15);1H.
What are the key properties of N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride?
N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 155537094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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