N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide

C21H21FN2O6S2 — CID 30867560

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O6S2/c1-29-14-15-30-17-8-12-19(13-9-17)32(27,28)24-21-5-3-2-4-20(21)23-31(25,26)18-10-6-16(22)7-11-18/h2-13,23-24H,14-15H2,1H3
InChIKeyCFFXPDIOOUBSDM-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.45
Rot. Bonds10

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 30867560) has the molecular formula C21H21FN2O6S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID30867560
Molecular FormulaC21H21FN2O6S2
Molecular Weight480.54 g/mol
Exact Mass480.08
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O6S2/c1-29-14-15-30-17-8-12-19(13-9-17)32(27,28)24-21-5-3-2-4-20(21)23-31(25,26)18-10-6-16(22)7-11-18/h2-13,23-24H,14-15H2,1H3
InChIKeyCFFXPDIOOUBSDM-UHFFFAOYSA-N
XLogP3.45
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121
4-[2-[2-(benzenesulfonamido)phenoxy]ethoxy]benzoic acid
CID 68688333
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 30867560) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is CFFXPDIOOUBSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O6S2/c1-29-14-15-30-17-8-12-19(13-9-17)32(27,28)24-21-5-3-2-4-20(21)23-31(25,26)18-10-6-16(22)7-11-18/h2-13,23-24H,14-15H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 480.54 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 30867560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).