4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide

C18H22FNO5S — CID 113095695

IUPAC4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2ccc(F)cc2C)cc(OC)c1OC
InChIInChI=1S/C18H22FNO5S/c1-12-9-14(19)5-6-17(12)26(21,22)20-8-7-13-10-15(23-2)18(25-4)16(11-13)24-3/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyDATQRBPTZMVHSC-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.68
Rot. Bonds8

About 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 113095695) has the molecular formula C18H22FNO5S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID113095695
Molecular FormulaC18H22FNO5S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2ccc(F)cc2C)cc(OC)c1OC
InChIInChI=1S/C18H22FNO5S/c1-12-9-14(19)5-6-17(12)26(21,22)20-8-7-13-10-15(23-2)18(25-4)16(11-13)24-3/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyDATQRBPTZMVHSC-UHFFFAOYSA-N
XLogP2.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 110787563
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 46534971
4-fluoro-N,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 113095871
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 30668156
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide (CID 113095695) is 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide is COc1cc(CCNS(=O)(=O)c2ccc(F)cc2C)cc(OC)c1OC.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is DATQRBPTZMVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO5S/c1-12-9-14(19)5-6-17(12)26(21,22)20-8-7-13-10-15(23-2)18(25-4)16(11-13)24-3/h5-6,9-11,20H,7-8H2,1-4H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 383.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113095695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).