N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide

C18H15F2NO3S — CID 60579353

IUPACN-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)c2ccccc12
InChIInChI=1S/C18H15F2NO3S/c1-2-24-17-9-10-18(14-6-4-3-5-13(14)17)25(22,23)21-16-11-12(19)7-8-15(16)20/h3-11,21H,2H2,1H3
InChIKeyXWWRQDHWPROWRO-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.32
Rot. Bonds5

About N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide

N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 60579353) has the molecular formula C18H15F2NO3S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
PubChem CID60579353
Molecular FormulaC18H15F2NO3S
Molecular Weight363.39 g/mol
Exact Mass363.07
IUPAC NameN-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)c2ccccc12
InChIInChI=1S/C18H15F2NO3S/c1-2-24-17-9-10-18(14-6-4-3-5-13(14)17)25(22,23)21-16-11-12(19)7-8-15(16)20/h3-11,21H,2H2,1H3
InChIKeyXWWRQDHWPROWRO-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide
CID 86839542
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
CID 7574411
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
CID 60579200
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
CID 56573661
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide (CID 60579353) is N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)c2ccccc12.
What is the InChIKey of N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is XWWRQDHWPROWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S/c1-2-24-17-9-10-18(14-6-4-3-5-13(14)17)25(22,23)21-16-11-12(19)7-8-15(16)20/h3-11,21H,2H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide?
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 363.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 60579353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).