4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide

C18H17FN2O3S — CID 166521435

IUPAC4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O3S/c1-20-12-13-4-9-16(18-3-2-10-24-18)17(11-13)21-25(22,23)15-7-5-14(19)6-8-15/h2-11,20-21H,12H2,1H3
InChIKeyUDETWEFHGNUCOV-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.61
Rot. Bonds6

About 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 166521435) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID166521435
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O3S/c1-20-12-13-4-9-16(18-3-2-10-24-18)17(11-13)21-25(22,23)15-7-5-14(19)6-8-15/h2-11,20-21H,12H2,1H3
InChIKeyUDETWEFHGNUCOV-UHFFFAOYSA-N
XLogP3.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521361
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 166521368
N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 166521432
3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
CID 167245137
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 61076846
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide
CID 166521441
N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide
CID 166521419
2-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1,3-benzothiazole-6-sulfonamide
CID 171471910
N-[2-[5-[[5-[3-(benzenesulfonamido)-4-(methylaminomethyl)phenyl]furan-3-yl]methyl]furan-2-yl]-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 167244960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide (CID 166521435) is 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is UDETWEFHGNUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-20-12-13-4-9-16(18-3-2-10-24-18)17(11-13)21-25(22,23)15-7-5-14(19)6-8-15/h2-11,20-21H,12H2,1H3.
What are the key properties of 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166521435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).