4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride

C19H22ClN5O3S — CID 91800680

IUPAC4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1
InChIInChI=1S/C19H21N5O3S.ClH/c20-28(25,26)16-6-4-14(5-7-16)23-19-22-12-13-2-1-3-17(18(13)24-19)27-15-8-10-21-11-9-15;/h1-7,12,15,21H,8-11H2,(H2,20,25,26)(H,22,23,24);1H
InChIKeyLFEGNVOTFFCUFO-UHFFFAOYSA-N
MW435.94 g/mol
LogP2.57
Rot. Bonds5

About 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride

4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride (PubChem CID 91800680) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride
PubChem CID91800680
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1
InChIInChI=1S/C19H21N5O3S.ClH/c20-28(25,26)16-6-4-14(5-7-16)23-19-22-12-13-2-1-3-17(18(13)24-19)27-15-8-10-21-11-9-15;/h1-7,12,15,21H,8-11H2,(H2,20,25,26)(H,22,23,24);1H
InChIKeyLFEGNVOTFFCUFO-UHFFFAOYSA-N
XLogP2.57
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride (CID 91800680) is 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1.
What is the InChIKey of 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride?
The InChIKey is LFEGNVOTFFCUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.ClH/c20-28(25,26)16-6-4-14(5-7-16)23-19-22-12-13-2-1-3-17(18(13)24-19)27-15-8-10-21-11-9-15;/h1-7,12,15,21H,8-11H2,(H2,20,25,26)(H,22,23,24);1H.
What are the key properties of 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride?
4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride has a molecular weight of 435.94 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 91800680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).