N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide

C14H15NO4S — CID 110705597

IUPACN-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15NO4S/c16-20(17,15-10-12-4-2-7-18-12)13-5-6-14-11(9-13)3-1-8-19-14/h2,4-7,9,15H,1,3,8,10H2
InChIKeyIMCOCBQHWWEFLN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.08
Rot. Bonds4

About N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide

N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 110705597) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID110705597
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15NO4S/c16-20(17,15-10-12-4-2-7-18-12)13-5-6-14-11(9-13)3-1-8-19-14/h2,4-7,9,15H,1,3,8,10H2
InChIKeyIMCOCBQHWWEFLN-UHFFFAOYSA-N
XLogP2.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
CID 63022983
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110345927
N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120720142
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide (CID 110705597) is N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide is O=S(=O)(NCc1ccco1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is IMCOCBQHWWEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-20(17,15-10-12-4-2-7-18-12)13-5-6-14-11(9-13)3-1-8-19-14/h2,4-7,9,15H,1,3,8,10H2.
What are the key properties of N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 293.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 110705597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).