3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C15H23NO4S — CID 91915441

IUPAC3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO4S/c1-3-8-16(11-13-7-9-20-12-13)21(17,18)15-6-4-5-14(10-15)19-2/h4-6,10,13H,3,7-9,11-12H2,1-2H3
InChIKeyLMQDWNPZKWLZKE-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.13
Rot. Bonds7

About 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915441) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915441
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO4S/c1-3-8-16(11-13-7-9-20-12-13)21(17,18)15-6-4-5-14(10-15)19-2/h4-6,10,13H,3,7-9,11-12H2,1-2H3
InChIKeyLMQDWNPZKWLZKE-UHFFFAOYSA-N
XLogP2.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-1-[3-(2-(18F)fluoroethoxy)phenyl]sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 168283760
1-[(4-Ethoxyphenyl)sulfonyl]pyrrolidine
CID 893819
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
CID 778310
1-(4-Ethoxyphenyl)sulfonylazepane
CID 247216
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
1-[(3-Ethoxy-4-fluorophenyl)sulfonyl]azepane
CID 935230
1-(2,5-Dimethoxy-benzenesulfonyl)-3-methyl-piperidine
CID 3132625
1-[2-[(2R)-1-[(3-Methoxyphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-methylpiperidine
CID 10499156
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368705
4-(3-Pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 60145489
4-(4-Pyrrolidin-1-ylbutoxy)benzenesulfonamide
CID 60145492

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915441) is 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is LMQDWNPZKWLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-8-16(11-13-7-9-20-12-13)21(17,18)15-6-4-5-14(10-15)19-2/h4-6,10,13H,3,7-9,11-12H2,1-2H3.
What are the key properties of 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).