2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide

C10H10Cl2N4O2S — CID 45380048

IUPAC2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C10H10Cl2N4O2S/c11-6-1-2-8-7(5-6)9(16-10(12)15-8)14-3-4-19(13,17)18/h1-2,5H,3-4H2,(H2,13,17,18)(H,14,15,16)
InChIKeyFNCUTBYDABXJEW-UHFFFAOYSA-N
MW321.19 g/mol
LogP1.64
Rot. Bonds4

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

2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide (PubChem CID 45380048) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide
PubChem CID45380048
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC Name2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C10H10Cl2N4O2S/c11-6-1-2-8-7(5-6)9(16-10(12)15-8)14-3-4-19(13,17)18/h1-2,5H,3-4H2,(H2,13,17,18)(H,14,15,16)
InChIKeyFNCUTBYDABXJEW-UHFFFAOYSA-N
XLogP1.64
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide
CID 45380043
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 79080717
N-phenyl-2-[(2,6,7-trichloroquinazolin-4-yl)amino]ethanesulfonamide
CID 45380169
N-(2,6-dichloroquinazolin-4-yl)acetamide
CID 133062371
2-(2-bromo-4-chloroanilino)ethanesulfonamide
CID 114385115
2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide
CID 102750379
2-(4-chloroanilino)ethanesulfonamide
CID 114384668
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline
CID 71496121
2-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]ethanesulfonamide
CID 114043161
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide (CID 45380048) is 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1nc(Cl)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide?
The InChIKey is FNCUTBYDABXJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c11-6-1-2-8-7(5-6)9(16-10(12)15-8)14-3-4-19(13,17)18/h1-2,5H,3-4H2,(H2,13,17,18)(H,14,15,16).
What are the key properties of 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide?
2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide has a molecular weight of 321.19 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 45380048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).