4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C16H25NO3S — CID 91905703

IUPAC4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C16H25NO3S/c1-3-10-17(12-15-9-11-20-13-15)21(18,19)16-7-5-14(4-2)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyVURKTKIHZCHBRV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.69
Rot. Bonds7

About 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91905703) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91905703
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C16H25NO3S/c1-3-10-17(12-15-9-11-20-13-15)21(18,19)16-7-5-14(4-2)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyVURKTKIHZCHBRV-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide
CID 91915414
1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
CID 99767674
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
4-[[(Z)-ethylideneamino]-(oxolan-3-ylmethyl)amino]-N-(4-ethylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 137446211
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91905703) is 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is VURKTKIHZCHBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-10-17(12-15-9-11-20-13-15)21(18,19)16-7-5-14(4-2)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91905703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).