4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide

C18H19FN2O4S — CID 7635910

IUPAC4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1N1CCCC1=O
InChIInChI=1S/C18H19FN2O4S/c1-12-10-13(19)5-8-17(12)26(23,24)20-14-6-7-15(16(11-14)25-2)21-9-3-4-18(21)22/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyGFRMYRIFCSOSCB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.07
Rot. Bonds5

About 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide

4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 7635910) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
PubChem CID7635910
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1N1CCCC1=O
InChIInChI=1S/C18H19FN2O4S/c1-12-10-13(19)5-8-17(12)26(23,24)20-14-6-7-15(16(11-14)25-2)21-9-3-4-18(21)22/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyGFRMYRIFCSOSCB-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636429
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
4-methoxy-2,5-dimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636186
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 25359026
2-methoxy-5-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635810
4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
2,5-dimethoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635813
2,5-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 17495366
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
2,5-dimethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636218

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide (CID 7635910) is 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1N1CCCC1=O.
What is the InChIKey of 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is GFRMYRIFCSOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-12-10-13(19)5-8-17(12)26(23,24)20-14-6-7-15(16(11-14)25-2)21-9-3-4-18(21)22/h5-8,10-11,20H,3-4,9H2,1-2H3.
What are the key properties of 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 7635910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).