N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide

C17H15F2N3O6S2 — CID 168900484

IUPACN-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide
SMILESO=C1CN(c2c(O)ccc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)c2F)S(=O)(=O)N1
InChIInChI=1S/C17H15F2N3O6S2/c18-12-7-9(1-5-13(12)20-29(25,26)10-2-3-10)11-4-6-14(23)17(16(11)19)22-8-15(24)21-30(22,27)28/h1,4-7,10,20,23H,2-3,8H2,(H,21,24)
InChIKeyPAVQWCHVXHAAHP-UHFFFAOYSA-N
MW459.45 g/mol
LogP1.42
Rot. Bonds5

About N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide

N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide (PubChem CID 168900484) has the molecular formula C17H15F2N3O6S2 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide
PubChem CID168900484
Molecular FormulaC17H15F2N3O6S2
Molecular Weight459.45 g/mol
Exact Mass459.04
IUPAC NameN-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide
SMILESO=C1CN(c2c(O)ccc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)c2F)S(=O)(=O)N1
InChIInChI=1S/C17H15F2N3O6S2/c18-12-7-9(1-5-13(12)20-29(25,26)10-2-3-10)11-4-6-14(23)17(16(11)19)22-8-15(24)21-30(22,27)28/h1,4-7,10,20,23H,2-3,8H2,(H,21,24)
InChIKeyPAVQWCHVXHAAHP-UHFFFAOYSA-N
XLogP1.42
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide
CID 168900521
5-[3-(1-cycloheptylpyrazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168901078
5-[3-(1-tert-butylpyrazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168901131
5-[2-fluoro-6-hydroxy-3-(4-methylthiophen-2-yl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900993
5-[2-fluoro-6-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900634
5-[2-fluoro-6-hydroxy-3-(3-methyl-2-oxo-1H-imidazol-5-yl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900958
5-[2-fluoro-6-hydroxy-3-[1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)pyrazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900408
5-[3-[(cyclohexylamino)methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119988
2-[3-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1H-pyrazol-5-yl]cyclopropane-1-carbonitrile
CID 168900880
4-fluoro-N-[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]benzenesulfonamide
CID 166165270
5-[2-fluoro-6-hydroxy-3-[(5S)-5-(2-methylcyclopropyl)-2,5-dihydro-1H-pyrrol-3-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 172608168
5-(2-fluoro-6-hydroxy-4-pyridin-4-ylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119922

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide (CID 168900484) is N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide is O=C1CN(c2c(O)ccc(-c3ccc(NS(=O)(=O)C4CC4)c(F)c3)c2F)S(=O)(=O)N1.
What is the InChIKey of N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide?
The InChIKey is PAVQWCHVXHAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O6S2/c18-12-7-9(1-5-13(12)20-29(25,26)10-2-3-10)11-4-6-14(23)17(16(11)19)22-8-15(24)21-30(22,27)28/h1,4-7,10,20,23H,2-3,8H2,(H,21,24).
What are the key properties of N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide?
N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide has a molecular weight of 459.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 168900484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).