2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C18H15F2NO3S2 — CID 9301888

IUPAC2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccs2)S(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H15F2NO3S2/c1-24-14-9-7-13(8-10-14)21(12-15-4-3-11-25-15)26(22,23)18-16(19)5-2-6-17(18)20/h2-11H,12H2,1H3
InChIKeyDLQXIXKXRJHAFZ-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.43
Rot. Bonds6

About 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9301888) has the molecular formula C18H15F2NO3S2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9301888
Molecular FormulaC18H15F2NO3S2
Molecular Weight395.45 g/mol
Exact Mass395.05
IUPAC Name2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccs2)S(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H15F2NO3S2/c1-24-14-9-7-13(8-10-14)21(12-15-4-3-11-25-15)26(22,23)18-16(19)5-2-6-17(18)20/h2-11H,12H2,1H3
InChIKeyDLQXIXKXRJHAFZ-UHFFFAOYSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9301891
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
CID 3242480
3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022998
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 28771874
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
CID 7921898

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9301888) is 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccc(N(Cc2cccs2)S(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is DLQXIXKXRJHAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S2/c1-24-14-9-7-13(8-10-14)21(12-15-4-3-11-25-15)26(22,23)18-16(19)5-2-6-17(18)20/h2-11H,12H2,1H3.
What are the key properties of 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 395.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9301888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).