7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C20H20FN3O5S — CID 55895424

IUPAC7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1N1CCCC1=O
InChIInChI=1S/C20H20FN3O5S/c1-29-17-10-13(5-6-16(17)24-8-2-3-20(24)26)23-30(27,28)18-9-12-4-7-19(25)22-15(12)11-14(18)21/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,22,25)
InChIKeyDDIADOFOEUNJOK-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.65
Rot. Bonds5

About 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 55895424) has the molecular formula C20H20FN3O5S and a molecular weight of 433.46 g/mol. Its IUPAC name is 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID55895424
Molecular FormulaC20H20FN3O5S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1N1CCCC1=O
InChIInChI=1S/C20H20FN3O5S/c1-29-17-10-13(5-6-16(17)24-8-2-3-20(24)26)23-30(27,28)18-9-12-4-7-19(25)22-15(12)11-14(18)21/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,22,25)
InChIKeyDDIADOFOEUNJOK-UHFFFAOYSA-N
XLogP2.65
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7635910
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
7-fluoro-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55731030
N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46925987
N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55896457
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
2,5-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 17495366
2,5-dimethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636218
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 17495368
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 55895424) is 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1N1CCCC1=O.
What is the InChIKey of 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is DDIADOFOEUNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S/c1-29-17-10-13(5-6-16(17)24-8-2-3-20(24)26)23-30(27,28)18-9-12-4-7-19(25)22-15(12)11-14(18)21/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,22,25).
What are the key properties of 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 433.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 55895424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).