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

C13H14BrNO3S — CID 65481426

IUPAC4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(CBr)cc2)o1
InChIInChI=1S/C13H14BrNO3S/c1-10-2-5-12(18-10)9-15-19(16,17)13-6-3-11(8-14)4-7-13/h2-7,15H,8-9H2,1H3
InChIKeyCKMURJKNVHOXRL-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.96
Rot. Bonds5

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

4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 65481426) has the molecular formula C13H14BrNO3S and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID65481426
Molecular FormulaC13H14BrNO3S
Molecular Weight344.23 g/mol
Exact Mass342.99
IUPAC Name4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(CBr)cc2)o1
InChIInChI=1S/C13H14BrNO3S/c1-10-2-5-12(18-10)9-15-19(16,17)13-6-3-11(8-14)4-7-13/h2-7,15H,8-9H2,1H3
InChIKeyCKMURJKNVHOXRL-UHFFFAOYSA-N
XLogP2.96
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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
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
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 65479645
2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 65481426) is 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(CBr)cc2)o1.
What is the InChIKey of 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is CKMURJKNVHOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S/c1-10-2-5-12(18-10)9-15-19(16,17)13-6-3-11(8-14)4-7-13/h2-7,15H,8-9H2,1H3.
What are the key properties of 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 65481426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).