5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

C14H14FNO4S — CID 17018087

IUPAC5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C14H14FNO4S/c1-19-12-5-3-4-11(9-12)16-21(17,18)14-8-10(15)6-7-13(14)20-2/h3-9,16H,1-2H3
InChIKeyWWHUEKIKTLJCRG-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.64
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 17018087) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID17018087
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C14H14FNO4S/c1-19-12-5-3-4-11(9-12)16-21(17,18)14-8-10(15)6-7-13(14)20-2/h3-9,16H,1-2H3
InChIKeyWWHUEKIKTLJCRG-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 16831419
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 17018087) is 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)c1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is WWHUEKIKTLJCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c1-19-12-5-3-4-11(9-12)16-21(17,18)14-8-10(15)6-7-13(14)20-2/h3-9,16H,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 17018087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).