N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C16H18FNO4S — CID 110780736

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)c(OC)c1
InChIInChI=1S/C16H18FNO4S/c1-11-8-14(6-7-15(11)17)23(19,20)18-10-12-4-5-13(21-2)9-16(12)22-3/h4-9,18H,10H2,1-3H3
InChIKeyXUIIZKYSCJCBAL-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.63
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 110780736) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID110780736
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)c(OC)c1
InChIInChI=1S/C16H18FNO4S/c1-11-8-14(6-7-15(11)17)23(19,20)18-10-12-4-5-13(21-2)9-16(12)22-3/h4-9,18H,10H2,1-3H3
InChIKeyXUIIZKYSCJCBAL-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025057
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 110780736) is N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is XUIIZKYSCJCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-11-8-14(6-7-15(11)17)23(19,20)18-10-12-4-5-13(21-2)9-16(12)22-3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 110780736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).