2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide

C15H23NO4S — CID 4565916

IUPAC2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C15H23NO4S/c1-11(2)12-6-7-14(19-3)15(9-12)21(17,18)16-10-13-5-4-8-20-13/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3
InChIKeyCVFUECWPRYXDFA-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.28
Rot. Bonds6

About 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 4565916) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID4565916
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C15H23NO4S/c1-11(2)12-6-7-14(19-3)15(9-12)21(17,18)16-10-13-5-4-8-20-13/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3
InChIKeyCVFUECWPRYXDFA-UHFFFAOYSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
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4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
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CID 967887
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2967885
2-methoxy-5-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978475
1-{[2-methoxy-5-(propan-2-yl)phenyl]sulfonyl}-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 24816606
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CID 39116409

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide (CID 4565916) is 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is CVFUECWPRYXDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)12-6-7-14(19-3)15(9-12)21(17,18)16-10-13-5-4-8-20-13/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 4565916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).