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

C18H15ClN4O6S — CID 135434212

IUPAC2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2NS(=O)(=O)NCc2ccccc2Cl)[nH]c(=O)c1O
InChIInChI=1S/C18H15ClN4O6S/c19-12-7-3-1-5-10(12)9-20-30(28,29)23-13-8-4-2-6-11(13)16-21-14(18(26)27)15(24)17(25)22-16/h1-8,20,23-24H,9H2,(H,26,27)(H,21,22,25)
InChIKeySAKOAJVEUWAJTR-UHFFFAOYSA-N
MW450.86 g/mol
LogP1.94
Rot. Bonds7

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

2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434212) has the molecular formula C18H15ClN4O6S and a molecular weight of 450.86 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434212
Molecular FormulaC18H15ClN4O6S
Molecular Weight450.86 g/mol
Exact Mass450.04
IUPAC Name2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2NS(=O)(=O)NCc2ccccc2Cl)[nH]c(=O)c1O
InChIInChI=1S/C18H15ClN4O6S/c19-12-7-3-1-5-10(12)9-20-30(28,29)23-13-8-4-2-6-11(13)16-21-14(18(26)27)15(24)17(25)22-16/h1-8,20,23-24H,9H2,(H,26,27)(H,21,22,25)
InChIKeySAKOAJVEUWAJTR-UHFFFAOYSA-N
XLogP1.94
TPSA161.48 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.86
LogP ≤ 51.94
H-Bond Donors ≤ 55
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
2-[3-[(2-chlorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434290
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189
5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434228
5-hydroxy-2-[4-(naphthalen-1-ylsulfonylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434719
2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434250
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601952
5-hydroxy-2-[2-[(3-nitrobenzoyl)amino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434268
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
2-[3-(benzylcarbamoylamino)thiophen-2-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434428
5-hydroxy-6-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methoxycarbonylamino]thiophen-3-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434676
methyl 2-[4-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-3-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 135434757

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434212) is 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2NS(=O)(=O)NCc2ccccc2Cl)[nH]c(=O)c1O.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is SAKOAJVEUWAJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O6S/c19-12-7-3-1-5-10(12)9-20-30(28,29)23-13-8-4-2-6-11(13)16-21-14(18(26)27)15(24)17(25)22-16/h1-8,20,23-24H,9H2,(H,26,27)(H,21,22,25).
What are the key properties of 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 450.86 g/mol, XLogP of 1.94, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).