N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

C18H16FNO4S — CID 71890325

IUPACN-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(Cc1ccco1)c1ccccc1F
InChIInChI=1S/C18H16FNO4S/c1-23-17-10-4-5-11-18(17)25(21,22)20(13-14-7-6-12-24-14)16-9-3-2-8-15(16)19/h2-12H,13H2,1H3
InChIKeyHVTVTAKQDIGHFP-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.82
Rot. Bonds6

About N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 71890325) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
PubChem CID71890325
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC NameN-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(Cc1ccco1)c1ccccc1F
InChIInChI=1S/C18H16FNO4S/c1-23-17-10-4-5-11-18(17)25(21,22)20(13-14-7-6-12-24-14)16-9-3-2-8-15(16)19/h2-12H,13H2,1H3
InChIKeyHVTVTAKQDIGHFP-UHFFFAOYSA-N
XLogP3.82
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 56795188
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55676585
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
N'-(furan-2-ylmethyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 28771828
2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
CID 20936125
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55368442
3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 39877116

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (CID 71890325) is N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)N(Cc1ccco1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is HVTVTAKQDIGHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-23-17-10-4-5-11-18(17)25(21,22)20(13-14-7-6-12-24-14)16-9-3-2-8-15(16)19/h2-12H,13H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 361.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71890325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).