N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide

C15H16FNO4S — CID 60533583

IUPACN-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2OC)cc1F
InChIInChI=1S/C15H16FNO4S/c1-3-21-13-9-8-11(10-12(13)16)17-22(18,19)15-7-5-4-6-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyHITLCAMTWRCILM-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.03
Rot. Bonds6

About N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide

N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 60533583) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
PubChem CID60533583
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2OC)cc1F
InChIInChI=1S/C15H16FNO4S/c1-3-21-13-9-8-11(10-12(13)16)17-22(18,19)15-7-5-4-6-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyHITLCAMTWRCILM-UHFFFAOYSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
CID 113399764
2-[2-chloro-4-[(2-methoxyphenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 55603766
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
6-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-sulfonamide
CID 115588666
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide (CID 60533583) is N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccccc2OC)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is HITLCAMTWRCILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-3-21-13-9-8-11(10-12(13)16)17-22(18,19)15-7-5-4-6-14(15)20-2/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide?
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 60533583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).