N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide

C14H19NO4S — CID 115767116

IUPACN-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2(C)CCOC2)c1
InChIInChI=1S/C14H19NO4S/c1-3-13(16)11-5-4-6-12(9-11)20(17,18)15-14(2)7-8-19-10-14/h4-6,9,15H,3,7-8,10H2,1-2H3
InChIKeyWZPBNLPARSOFSL-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.74
Rot. Bonds5

About N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide

N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide (PubChem CID 115767116) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
PubChem CID115767116
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2(C)CCOC2)c1
InChIInChI=1S/C14H19NO4S/c1-3-13(16)11-5-4-6-12(9-11)20(17,18)15-14(2)7-8-19-10-14/h4-6,9,15H,3,7-8,10H2,1-2H3
InChIKeyWZPBNLPARSOFSL-UHFFFAOYSA-N
XLogP1.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 113482368
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
CID 113485339
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896523
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
3-propanoylbenzenesulfonic acid
CID 148597255
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 120607192
3-chloro-4-(methylaminomethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107091654
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide (CID 115767116) is N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC2(C)CCOC2)c1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is WZPBNLPARSOFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-13(16)11-5-4-6-12(9-11)20(17,18)15-14(2)7-8-19-10-14/h4-6,9,15H,3,7-8,10H2,1-2H3.
What are the key properties of N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide?
N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 115767116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).