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

C13H16N2O4S — CID 64592159

IUPAC3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2ccc(CO)o2)c1
InChIInChI=1S/C13H16N2O4S/c14-20(17,18)13-3-1-2-10(6-13)7-15-8-11-4-5-12(9-16)19-11/h1-6,15-16H,7-9H2,(H2,14,17,18)
InChIKeyYXLISQVIIGVVCJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.71
Rot. Bonds6

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

3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide (PubChem CID 64592159) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
PubChem CID64592159
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2ccc(CO)o2)c1
InChIInChI=1S/C13H16N2O4S/c14-20(17,18)13-3-1-2-10(6-13)7-15-8-11-4-5-12(9-16)19-11/h1-6,15-16H,7-9H2,(H2,14,17,18)
InChIKeyYXLISQVIIGVVCJ-UHFFFAOYSA-N
XLogP0.71
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
CID 60859954
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 115951552
3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide
CID 79783825
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
CID 64580129
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048
3-[(3-sulfamoylphenyl)methylsulfamoyl]propanoic acid
CID 60859947

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide (CID 64592159) is 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNCc2ccc(CO)o2)c1.
What is the InChIKey of 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide?
The InChIKey is YXLISQVIIGVVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-20(17,18)13-3-1-2-10(6-13)7-15-8-11-4-5-12(9-16)19-11/h1-6,15-16H,7-9H2,(H2,14,17,18).
What are the key properties of 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide?
3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 64592159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).