5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide

C15H25NO4S — CID 110757529

IUPAC5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H25NO4S/c1-15(2,3)12-7-8-13(20-5)14(11-12)21(17,18)16-9-6-10-19-4/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyURJCPYRFSKRRHW-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.31
Rot. Bonds7

About 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide

5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 110757529) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID110757529
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H25NO4S/c1-15(2,3)12-7-8-13(20-5)14(11-12)21(17,18)16-9-6-10-19-4/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyURJCPYRFSKRRHW-UHFFFAOYSA-N
XLogP2.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 60846325
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 110757792
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
CID 42065813
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,5-dimethoxybenzenesulfonamide
CID 19681035

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide (CID 110757529) is 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is URJCPYRFSKRRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-15(2,3)12-7-8-13(20-5)14(11-12)21(17,18)16-9-6-10-19-4/h7-8,11,16H,6,9-10H2,1-5H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide?
5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 110757529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).