4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid

C20H14N4O4S — CID 170902957

IUPAC4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1
InChIInChI=1S/C20H14N4O4S/c25-20(26)19-22-17(13-7-2-1-3-8-13)14-9-6-10-15(18(14)23-19)24-29(27,28)16-11-4-5-12-21-16/h1-12,24H,(H,25,26)
InChIKeyZIVBWFYEUVYIKJ-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.19
Rot. Bonds5

About 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid

4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid (PubChem CID 170902957) has the molecular formula C20H14N4O4S and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid
PubChem CID170902957
Molecular FormulaC20H14N4O4S
Molecular Weight406.42 g/mol
Exact Mass406.07
IUPAC Name4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1
InChIInChI=1S/C20H14N4O4S/c25-20(26)19-22-17(13-7-2-1-3-8-13)14-9-6-10-15(18(14)23-19)24-29(27,28)16-11-4-5-12-21-16/h1-12,24H,(H,25,26)
InChIKeyZIVBWFYEUVYIKJ-UHFFFAOYSA-N
XLogP3.19
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
CID 68982273
N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide
CID 166442519
4-phenylquinazoline-2-carboxamide
CID 14528191
pyridin-2-ylsulfonylthiourea
CID 19808514
methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate
CID 46896463
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-[2-[4-(7-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide
CID 67609360
6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
CID 118860117

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid (CID 170902957) is 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid is O=C(O)c1nc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1.
What is the InChIKey of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid?
The InChIKey is ZIVBWFYEUVYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4S/c25-20(26)19-22-17(13-7-2-1-3-8-13)14-9-6-10-15(18(14)23-19)24-29(27,28)16-11-4-5-12-21-16/h1-12,24H,(H,25,26).
What are the key properties of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid?
4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid has a molecular weight of 406.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 170902957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).