4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C18H17F3N2O4S — CID 92676550

IUPAC4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O
InChIInChI=1S/C18H17F3N2O4S/c1-27-16-9-8-14(11-15(16)23-10-2-3-17(23)24)28(25,26)22-13-6-4-12(5-7-13)18(19,20)21/h4-9,11,22H,2-3,10H2,1H3
InChIKeyYFARDEQERMQWBQ-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.64
Rot. Bonds5

About 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 92676550) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID92676550
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC Name4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O
InChIInChI=1S/C18H17F3N2O4S/c1-27-16-9-8-14(11-15(16)23-10-2-3-17(23)24)28(25,26)22-13-6-4-12(5-7-13)18(19,20)21/h4-9,11,22H,2-3,10H2,1H3
InChIKeyYFARDEQERMQWBQ-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
N-[4-(diethylaminomethyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28636471
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764001
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-acetyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 39873991
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 92676550) is 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O.
What is the InChIKey of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YFARDEQERMQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c1-27-16-9-8-14(11-15(16)23-10-2-3-17(23)24)28(25,26)22-13-6-4-12(5-7-13)18(19,20)21/h4-9,11,22H,2-3,10H2,1H3.
What are the key properties of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 414.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 92676550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).