2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide

C19H16F2N2O6S2 — CID 29099021

IUPAC2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H16F2N2O6S2/c1-29-18-5-3-2-4-15(18)22-30(25,26)13-7-9-17(24)16(11-13)23-31(27,28)19-10-12(20)6-8-14(19)21/h2-11,22-24H,1H3
InChIKeyWCVHDVMRVJAIMI-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.28
Rot. Bonds7

About 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide

2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 29099021) has the molecular formula C19H16F2N2O6S2 and a molecular weight of 470.48 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID29099021
Molecular FormulaC19H16F2N2O6S2
Molecular Weight470.48 g/mol
Exact Mass470.04
IUPAC Name2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H16F2N2O6S2/c1-29-18-5-3-2-4-15(18)22-30(25,26)13-7-9-17(24)16(11-13)23-31(27,28)19-10-12(20)6-8-14(19)21/h2-11,22-24H,1H3
InChIKeyWCVHDVMRVJAIMI-UHFFFAOYSA-N
XLogP3.28
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide (CID 29099021) is 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is WCVHDVMRVJAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O6S2/c1-29-18-5-3-2-4-15(18)22-30(25,26)13-7-9-17(24)16(11-13)23-31(27,28)19-10-12(20)6-8-14(19)21/h2-11,22-24H,1H3.
What are the key properties of 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide?
2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 470.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 29099021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).