2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide

C10H11N5O4S — CID 64584909

IUPAC2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H11N5O4S/c11-20(18,19)4-3-12-10-8-5-7(15(16)17)1-2-9(8)13-6-14-10/h1-2,5-6H,3-4H2,(H2,11,18,19)(H,12,13,14)
InChIKeyRFFBNKIQKZIMQP-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.24
Rot. Bonds5

About 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide

2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide (PubChem CID 64584909) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide
PubChem CID64584909
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H11N5O4S/c11-20(18,19)4-3-12-10-8-5-7(15(16)17)1-2-9(8)13-6-14-10/h1-2,5-6H,3-4H2,(H2,11,18,19)(H,12,13,14)
InChIKeyRFFBNKIQKZIMQP-UHFFFAOYSA-N
XLogP0.24
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]methanesulfonamide
CID 64584908
6-nitro-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 64588867
N-benzyl-6-nitroquinazolin-4-amine
CID 5328027
6-nitro-N-[2-(4-phenoxyphenyl)ethyl]quinazolin-4-amine
CID 175100057
3-[[(6-nitroquinazolin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006571
6-nitro-N-(thiophen-3-ylmethyl)quinazolin-4-amine
CID 64590260
N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide
CID 71378888
2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787351
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416
3-methyl-4-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 66106875
3-methyl-2-N-(6-nitroquinazolin-4-yl)butane-1,2-diamine
CID 65191719
6-nitro-N-(thiolan-3-ylmethyl)quinazolin-4-amine
CID 107296771

Frequently Asked Questions

What is the IUPAC name of 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide (CID 64584909) is 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1ncnc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide?
The InChIKey is RFFBNKIQKZIMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c11-20(18,19)4-3-12-10-8-5-7(15(16)17)1-2-9(8)13-6-14-10/h1-2,5-6H,3-4H2,(H2,11,18,19)(H,12,13,14).
What are the key properties of 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide?
2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 64584909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).