4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide

C17H14N6O2S — CID 67102048

IUPAC4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4cn[nH]c4)c3n2)cc1
InChIInChI=1S/C17H14N6O2S/c18-26(24,25)14-6-4-13(5-7-14)22-17-19-8-11-2-1-3-15(16(11)23-17)12-9-20-21-10-12/h1-10H,(H,20,21)(H2,18,24,25)(H,19,22,23)
InChIKeyIAQBSZYPDSNRGQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.41
Rot. Bonds4

About 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide

4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67102048) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67102048
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4cn[nH]c4)c3n2)cc1
InChIInChI=1S/C17H14N6O2S/c18-26(24,25)14-6-4-13(5-7-14)22-17-19-8-11-2-1-3-15(16(11)23-17)12-9-20-21-10-12/h1-10H,(H,20,21)(H2,18,24,25)(H,19,22,23)
InChIKeyIAQBSZYPDSNRGQ-UHFFFAOYSA-N
XLogP2.41
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide (CID 67102048) is 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4cn[nH]c4)c3n2)cc1.
What is the InChIKey of 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is IAQBSZYPDSNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c18-26(24,25)14-6-4-13(5-7-14)22-17-19-8-11-2-1-3-15(16(11)23-17)12-9-20-21-10-12/h1-10H,(H,20,21)(H2,18,24,25)(H,19,22,23).
What are the key properties of 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide?
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67102048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).