4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide

C21H19N5O2S — CID 2465038

IUPAC4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N5O2S/c22-29(27,28)17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13H2,(H2,22,27,28)(H,24,25,26)
InChIKeyVMACXNMCXXIGME-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.99
Rot. Bonds6

About 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 2465038) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID2465038
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N5O2S/c22-29(27,28)17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13H2,(H2,22,27,28)(H,24,25,26)
InChIKeyVMACXNMCXXIGME-UHFFFAOYSA-N
XLogP2.99
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide (CID 2465038) is 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is VMACXNMCXXIGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c22-29(27,28)17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13H2,(H2,22,27,28)(H,24,25,26).
What are the key properties of 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2465038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).