4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C17H25NO4S — CID 110733234

IUPAC4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H25NO4S/c1-18(13-16-7-4-12-21-16)23(19,20)17-10-8-15(9-11-17)22-14-5-2-3-6-14/h8-11,14,16H,2-7,12-13H2,1H3
InChIKeyBZSBWVNAZIGYPY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.81
Rot. Bonds6

About 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 110733234) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID110733234
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H25NO4S/c1-18(13-16-7-4-12-21-16)23(19,20)17-10-8-15(9-11-17)22-14-5-2-3-6-14/h8-11,14,16H,2-7,12-13H2,1H3
InChIKeyBZSBWVNAZIGYPY-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97109915
3-fluoro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82846972
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 110733234) is 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CN(CC1CCCO1)S(=O)(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is BZSBWVNAZIGYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-18(13-16-7-4-12-21-16)23(19,20)17-10-8-15(9-11-17)22-14-5-2-3-6-14/h8-11,14,16H,2-7,12-13H2,1H3.
What are the key properties of 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110733234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).