N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide

C14H14FNO4S — CID 3576205

IUPACN-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C14H14FNO4S/c1-19-13-5-3-4-12(14(13)20-2)16-21(17,18)11-8-6-10(15)7-9-11/h3-9,16H,1-2H3
InChIKeyBCONZLHMQKOUQY-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.64
Rot. Bonds5

About N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide

N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 3576205) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID3576205
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C14H14FNO4S/c1-19-13-5-3-4-12(14(13)20-2)16-21(17,18)11-8-6-10(15)7-9-11/h3-9,16H,1-2H3
InChIKeyBCONZLHMQKOUQY-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

4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide (CID 3576205) is N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is BCONZLHMQKOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c1-19-13-5-3-4-12(14(13)20-2)16-21(17,18)11-8-6-10(15)7-9-11/h3-9,16H,1-2H3.
What are the key properties of N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide 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 N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3576205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).