4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C15H17NO4S — CID 168527242

IUPAC4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C15H17NO4S/c17-21(18,16-11-13-3-1-9-19-13)14-7-5-12(6-8-14)15-4-2-10-20-15/h2,4-8,10,13,16H,1,3,9,11H2
InChIKeyUWLAWIOUEDRAAL-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.40
Rot. Bonds5

About 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 168527242) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID168527242
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C15H17NO4S/c17-21(18,16-11-13-3-1-9-19-13)14-7-5-12(6-8-14)15-4-2-10-20-15/h2,4-8,10,13,16H,1,3,9,11H2
InChIKeyUWLAWIOUEDRAAL-UHFFFAOYSA-N
XLogP2.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 25041317
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1460149
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 168527242) is 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCO1)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UWLAWIOUEDRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c17-21(18,16-11-13-3-1-9-19-13)14-7-5-12(6-8-14)15-4-2-10-20-15/h2,4-8,10,13,16H,1,3,9,11H2.
What are the key properties of 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 168527242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).