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

C21H20FNO4S — CID 70117489

IUPAC2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2Cc2ccccc2)cc1OC
InChIInChI=1S/C21H20FNO4S/c1-26-19-10-9-18(14-20(19)27-2)23-28(24,25)21-11-8-17(22)13-16(21)12-15-6-4-3-5-7-15/h3-11,13-14,23H,12H2,1-2H3
InChIKeyYWXTVPYRQCQHDN-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.23
Rot. Bonds7

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

2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 70117489) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID70117489
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2Cc2ccccc2)cc1OC
InChIInChI=1S/C21H20FNO4S/c1-26-19-10-9-18(14-20(19)27-2)23-28(24,25)21-11-8-17(22)13-16(21)12-15-6-4-3-5-7-15/h3-11,13-14,23H,12H2,1-2H3
InChIKeyYWXTVPYRQCQHDN-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 25352955
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
CID 160623115
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100771142
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide (CID 70117489) is 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cc2ccccc2)cc1OC.
What is the InChIKey of 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is YWXTVPYRQCQHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-26-19-10-9-18(14-20(19)27-2)23-28(24,25)21-11-8-17(22)13-16(21)12-15-6-4-3-5-7-15/h3-11,13-14,23H,12H2,1-2H3.
What are the key properties of 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 401.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 70117489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).