4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide

C17H19ClFNO4S — CID 8801326

IUPAC4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO4S/c1-4-20(11-12-5-7-15(23-2)16(9-12)24-3)25(21,22)17-8-6-13(18)10-14(17)19/h5-10H,4,11H2,1-3H3
InChIKeySAMHVAURYANTDM-UHFFFAOYSA-N
MW387.86 g/mol
LogP3.71
Rot. Bonds7

About 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 8801326) has the molecular formula C17H19ClFNO4S and a molecular weight of 387.86 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID8801326
Molecular FormulaC17H19ClFNO4S
Molecular Weight387.86 g/mol
Exact Mass387.07
IUPAC Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO4S/c1-4-20(11-12-5-7-15(23-2)16(9-12)24-3)25(21,22)17-8-6-13(18)10-14(17)19/h5-10H,4,11H2,1-3H3
InChIKeySAMHVAURYANTDM-UHFFFAOYSA-N
XLogP3.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 8801352
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801338
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(2S)-2-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide
CID 69475108
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 131934877
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
CID 30667701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide (CID 8801326) is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide is CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is SAMHVAURYANTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO4S/c1-4-20(11-12-5-7-15(23-2)16(9-12)24-3)25(21,22)17-8-6-13(18)10-14(17)19/h5-10H,4,11H2,1-3H3.
What are the key properties of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide?
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 387.86 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 8801326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).