1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid

C20H18N4O5S — CID 47076109

IUPAC1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1
InChIInChI=1S/C20H18N4O5S/c25-19-2-1-12-23(19)15-7-9-17(10-8-15)30(28,29)22-14-3-5-16(6-4-14)24-13-11-18(21-24)20(26)27/h3-11,13,22H,1-2,12H2,(H,26,27)
InChIKeyHHFFXSLHMDPJPN-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.50
Rot. Bonds6

About 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid

1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 47076109) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid
PubChem CID47076109
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Name1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1
InChIInChI=1S/C20H18N4O5S/c25-19-2-1-12-23(19)15-7-9-17(10-8-15)30(28,29)22-14-3-5-16(6-4-14)24-13-11-18(21-24)20(26)27/h3-11,13,22H,1-2,12H2,(H,26,27)
InChIKeyHHFFXSLHMDPJPN-UHFFFAOYSA-N
XLogP2.50
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60912388
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid (CID 47076109) is 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1.
What is the InChIKey of 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is HHFFXSLHMDPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c25-19-2-1-12-23(19)15-7-9-17(10-8-15)30(28,29)22-14-3-5-16(6-4-14)24-13-11-18(21-24)20(26)27/h3-11,13,22H,1-2,12H2,(H,26,27).
What are the key properties of 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 426.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 47076109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).