2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide

C14H17FN2O3S — CID 79179197

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)Cc2ccco2)c(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-16-9-11-5-6-14(13(15)8-11)21(18,19)17(2)10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3
InChIKeyFALVHVDMEKEBID-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.96
Rot. Bonds6

About 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide

2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 79179197) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID79179197
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)Cc2ccco2)c(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-16-9-11-5-6-14(13(15)8-11)21(18,19)17(2)10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3
InChIKeyFALVHVDMEKEBID-UHFFFAOYSA-N
XLogP1.96
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide (CID 79179197) is 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)Cc2ccco2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is FALVHVDMEKEBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-16-9-11-5-6-14(13(15)8-11)21(18,19)17(2)10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 79179197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).