2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide

C12H19NO6S2 — CID 110300192

IUPAC2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIInChI=1S/C12H19NO6S2/c1-18-8-4-7-13-21(16,17)12-9-10(20(3,14)15)5-6-11(12)19-2/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyQXFDALVNSCNYPO-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.41
Rot. Bonds8

About 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide

2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 110300192) has the molecular formula C12H19NO6S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
PubChem CID110300192
Molecular FormulaC12H19NO6S2
Molecular Weight337.42 g/mol
Exact Mass337.07
IUPAC Name2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIInChI=1S/C12H19NO6S2/c1-18-8-4-7-13-21(16,17)12-9-10(20(3,14)15)5-6-11(12)19-2/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyQXFDALVNSCNYPO-UHFFFAOYSA-N
XLogP0.41
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110757529
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
CID 120820491
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 60846325
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide (CID 110300192) is 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide is COCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC.
What is the InChIKey of 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is QXFDALVNSCNYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S2/c1-18-8-4-7-13-21(16,17)12-9-10(20(3,14)15)5-6-11(12)19-2/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide?
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 110300192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).