5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide

C13H16N2O4S — CID 114331390

IUPAC5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)o1
InChIInChI=1S/C13H16N2O4S/c1-14-20(17,18)13-7-6-12(19-13)9-15-8-10-2-4-11(16)5-3-10/h2-7,14-16H,8-9H2,1H3
InChIKeyKNFUYHCPRKEHKJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.18
Rot. Bonds6

About 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide

5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide (PubChem CID 114331390) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
PubChem CID114331390
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)o1
InChIInChI=1S/C13H16N2O4S/c1-14-20(17,18)13-7-6-12(19-13)9-15-8-10-2-4-11(16)5-3-10/h2-7,14-16H,8-9H2,1H3
InChIKeyKNFUYHCPRKEHKJ-UHFFFAOYSA-N
XLogP1.18
TPSA91.57 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 ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
CID 115572171
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
N-methyl-5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-2-sulfonamide
CID 106379707
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide (CID 114331390) is 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)o1.
What is the InChIKey of 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is KNFUYHCPRKEHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-14-20(17,18)13-7-6-12(19-13)9-15-8-10-2-4-11(16)5-3-10/h2-7,14-16H,8-9H2,1H3.
What are the key properties of 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 114331390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).