4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C12H12FNO3S — CID 55081647

IUPAC4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H12FNO3S/c1-9-2-5-11(17-9)8-14-18(15,16)12-6-3-10(13)4-7-12/h2-7,14H,8H2,1H3
InChIKeyPFOSXTVJLVCJSI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.21
Rot. Bonds4

About 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 55081647) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID55081647
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H12FNO3S/c1-9-2-5-11(17-9)8-14-18(15,16)12-6-3-10(13)4-7-12/h2-7,14H,8H2,1H3
InChIKeyPFOSXTVJLVCJSI-UHFFFAOYSA-N
XLogP2.21
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110732035
N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
CID 51699077
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62524776
4-[[5-(4-fluorophenyl)furan-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 30784702
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 55081647) is 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is PFOSXTVJLVCJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-9-2-5-11(17-9)8-14-18(15,16)12-6-3-10(13)4-7-12/h2-7,14H,8H2,1H3.
What are the key properties of 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55081647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).