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

C15H23NO4S — CID 91915432

IUPAC4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO4S/c1-3-9-16(11-13-8-10-20-12-13)21(17,18)15-6-4-14(19-2)5-7-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyQCXZPYGFQKLCEK-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.13
Rot. Bonds7

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

4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915432) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915432
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO4S/c1-3-9-16(11-13-8-10-20-12-13)21(17,18)15-6-4-14(19-2)5-7-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyQCXZPYGFQKLCEK-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

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CID 155511133
N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
CID 700202
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
1-(4-Methoxyphenyl)sulfonylazepane
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1-[(4-Ethoxyphenyl)sulfonyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915432) is 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is QCXZPYGFQKLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-9-16(11-13-8-10-20-12-13)21(17,18)15-6-4-14(19-2)5-7-15/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
4-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 4-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).