N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide

C20H18F2N2O5S2 — CID 2488296

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C20H18F2N2O5S2/c1-2-29-17-8-4-15(5-9-17)23-30(25,26)18-10-6-16(7-11-18)24-31(27,28)20-12-3-14(21)13-19(20)22/h3-13,23-24H,2H2,1H3
InChIKeyGKPBVENUGUHEHI-UHFFFAOYSA-N
MW468.50 g/mol
LogP3.97
Rot. Bonds8

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 2488296) has the molecular formula C20H18F2N2O5S2 and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID2488296
Molecular FormulaC20H18F2N2O5S2
Molecular Weight468.50 g/mol
Exact Mass468.06
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C20H18F2N2O5S2/c1-2-29-17-8-4-15(5-9-17)23-30(25,26)18-10-6-16(7-11-18)24-31(27,28)20-12-3-14(21)13-19(20)22/h3-13,23-24H,2H2,1H3
InChIKeyGKPBVENUGUHEHI-UHFFFAOYSA-N
XLogP3.97
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981139

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide (CID 2488296) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GKPBVENUGUHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O5S2/c1-2-29-17-8-4-15(5-9-17)23-30(25,26)18-10-6-16(7-11-18)24-31(27,28)20-12-3-14(21)13-19(20)22/h3-13,23-24H,2H2,1H3.
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 468.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2488296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).