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

C12H13NO3S — CID 64584740

IUPACN-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C12H13NO3S/c1-10-7-8-11(16-10)9-13-17(14,15)12-5-3-2-4-6-12/h2-8,13H,9H2,1H3
InChIKeyYDPFBQVFXDLUKZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.07
Rot. Bonds4

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

N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 64584740) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID64584740
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C12H13NO3S/c1-10-7-8-11(16-10)9-13-17(14,15)12-5-3-2-4-6-12/h2-8,13H,9H2,1H3
InChIKeyYDPFBQVFXDLUKZ-UHFFFAOYSA-N
XLogP2.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.07
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
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
CID 51699077
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
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
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
CID 64584548
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 64584740) is N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is YDPFBQVFXDLUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-10-7-8-11(16-10)9-13-17(14,15)12-5-3-2-4-6-12/h2-8,13H,9H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 64584740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).