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

C12H12FNO3S — CID 25039893

IUPAC3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc(F)c2)o1
InChIInChI=1S/C12H12FNO3S/c1-9-5-6-11(17-9)8-14-18(15,16)12-4-2-3-10(13)7-12/h2-7,14H,8H2,1H3
InChIKeyMOJMUONSPBATTM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.21
Rot. Bonds4

About 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 25039893) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID25039893
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc(F)c2)o1
InChIInChI=1S/C12H12FNO3S/c1-9-5-6-11(17-9)8-14-18(15,16)12-4-2-3-10(13)7-12/h2-7,14H,8H2,1H3
InChIKeyMOJMUONSPBATTM-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

4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62524776
3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide
CID 24988237
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 25039893) is 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cccc(F)c2)o1.
What is the InChIKey of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is MOJMUONSPBATTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-9-5-6-11(17-9)8-14-18(15,16)12-4-2-3-10(13)7-12/h2-7,14H,8H2,1H3.
What are the key properties of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
3-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 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 25039893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).