3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide

C12H13ClN2O3S — CID 60859954

IUPAC3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2ccc(Cl)o2)c1
InChIInChI=1S/C12H13ClN2O3S/c13-12-5-4-10(18-12)8-15-7-9-2-1-3-11(6-9)19(14,16)17/h1-6,15H,7-8H2,(H2,14,16,17)
InChIKeyLSAMZPFODKVDIN-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.87
Rot. Bonds5

About 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide

3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 60859954) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
PubChem CID60859954
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2ccc(Cl)o2)c1
InChIInChI=1S/C12H13ClN2O3S/c13-12-5-4-10(18-12)8-15-7-9-2-1-3-11(6-9)19(14,16)17/h1-6,15H,7-8H2,(H2,14,16,17)
InChIKeyLSAMZPFODKVDIN-UHFFFAOYSA-N
XLogP1.87
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
CID 64592159
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 115951552
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
3-[[(5-bromothiophen-3-yl)methylamino]methyl]benzenesulfonamide
CID 54927129
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
CID 66415356
3-[[(1-methylpyrrol-2-yl)methylamino]methyl]benzenesulfonamide
CID 62131867
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115
3-[(heptylamino)methyl]benzenesulfonamide
CID 60859949

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide (CID 60859954) is 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNCc2ccc(Cl)o2)c1.
What is the InChIKey of 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is LSAMZPFODKVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c13-12-5-4-10(18-12)8-15-7-9-2-1-3-11(6-9)19(14,16)17/h1-6,15H,7-8H2,(H2,14,16,17).
What are the key properties of 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide?
3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60859954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).