N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H14F4N2O4S — CID 86939886

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H14F4N2O4S/c18-14-10-11(3-8-15(14)23-9-1-2-16(23)24)22-28(25,26)13-6-4-12(5-7-13)27-17(19,20)21/h3-8,10,22H,1-2,9H2
InChIKeyHXBVCVLMGLDHNO-UHFFFAOYSA-N
MW418.37 g/mol
LogP3.65
Rot. Bonds5

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 86939886) has the molecular formula C17H14F4N2O4S and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID86939886
Molecular FormulaC17H14F4N2O4S
Molecular Weight418.37 g/mol
Exact Mass418.06
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H14F4N2O4S/c18-14-10-11(3-8-15(14)23-9-1-2-16(23)24)22-28(25,26)13-6-4-12(5-7-13)27-17(19,20)21/h3-8,10,22H,1-2,9H2
InChIKeyHXBVCVLMGLDHNO-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 86939876
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
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-N,4-N-dimethyl-1-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,4-disulfonamide
CID 24602878
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7635888
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 86939886) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is HXBVCVLMGLDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O4S/c18-14-10-11(3-8-15(14)23-9-1-2-16(23)24)22-28(25,26)13-6-4-12(5-7-13)27-17(19,20)21/h3-8,10,22H,1-2,9H2.
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 418.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 86939886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).