5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid

C18H15N3O6S — CID 135434247

IUPAC5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C18H15N3O6S/c1-10-6-8-11(9-7-10)28(26,27)21-13-5-3-2-4-12(13)16-19-14(18(24)25)15(22)17(23)20-16/h2-9,21-22H,1H3,(H,24,25)(H,19,20,23)
InChIKeyMJACZWSZGOCESU-UHFFFAOYSA-N
MW401.40 g/mol
LogP1.95
Rot. Bonds5

About 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434247) has the molecular formula C18H15N3O6S and a molecular weight of 401.40 g/mol. Its IUPAC name is 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434247
Molecular FormulaC18H15N3O6S
Molecular Weight401.40 g/mol
Exact Mass401.07
IUPAC Name5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C18H15N3O6S/c1-10-6-8-11(9-7-10)28(26,27)21-13-5-3-2-4-12(13)16-19-14(18(24)25)15(22)17(23)20-16/h2-9,21-22H,1H3,(H,24,25)(H,19,20,23)
InChIKeyMJACZWSZGOCESU-UHFFFAOYSA-N
XLogP1.95
TPSA149.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434224
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
ethyl 5-methyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-1H-imidazole-4-carboxylate
CID 169372608
2-[2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434238
5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434234
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434212
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 59191080
N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
CID 142133755
2-[4-[(3-chloro-2-methylphenyl)sulfonylcarbamoylamino]thiophen-3-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434720

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434247) is 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1.
What is the InChIKey of 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is MJACZWSZGOCESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6S/c1-10-6-8-11(9-7-10)28(26,27)21-13-5-3-2-4-12(13)16-19-14(18(24)25)15(22)17(23)20-16/h2-9,21-22H,1H3,(H,24,25)(H,19,20,23).
What are the key properties of 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 401.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).