N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide

C21H21N3O5S — CID 55791911

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc21
InChIInChI=1S/C21H21N3O5S/c1-23-18-7-3-2-6-15(18)16(13-20(23)26)21(27)22-17-12-14(8-9-19(17)25)30(28,29)24-10-4-5-11-24/h2-3,6-9,12-13,25H,4-5,10-11H2,1H3,(H,22,27)
InChIKeyUUUJCXBWRHASGR-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.28
Rot. Bonds4

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55791911) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55791911
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc21
InChIInChI=1S/C21H21N3O5S/c1-23-18-7-3-2-6-15(18)16(13-20(23)26)21(27)22-17-12-14(8-9-19(17)25)30(28,29)24-10-4-5-11-24/h2-3,6-9,12-13,25H,4-5,10-11H2,1H3,(H,22,27)
InChIKeyUUUJCXBWRHASGR-UHFFFAOYSA-N
XLogP2.28
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791535
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 15945362
2-chloro-N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 29265019
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
2-bromo-4-fluoro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 29265094
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 27672665

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide (CID 55791911) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is UUUJCXBWRHASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-23-18-7-3-2-6-15(18)16(13-20(23)26)21(27)22-17-12-14(8-9-19(17)25)30(28,29)24-10-4-5-11-24/h2-3,6-9,12-13,25H,4-5,10-11H2,1H3,(H,22,27).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55791911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).