4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide

C15H23NO4S — CID 6471718

IUPAC4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)14-9-13(6-7-15(14)19-3)21(17,18)16-10-12-5-4-8-20-12/h6-7,9,11-12,16H,4-5,8,10H2,1-3H3
InChIKeyJRWGWVXOUAZMMV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.28
Rot. Bonds6

About 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide

4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide (PubChem CID 6471718) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
PubChem CID6471718
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)14-9-13(6-7-15(14)19-3)21(17,18)16-10-12-5-4-8-20-12/h6-7,9,11-12,16H,4-5,8,10H2,1-3H3
InChIKeyJRWGWVXOUAZMMV-UHFFFAOYSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55408917
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 92870386
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide (CID 6471718) is 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(C)C.
What is the InChIKey of 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide?
The InChIKey is JRWGWVXOUAZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)14-9-13(6-7-15(14)19-3)21(17,18)16-10-12-5-4-8-20-12/h6-7,9,11-12,16H,4-5,8,10H2,1-3H3.
What are the key properties of 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide?
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 6471718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).