4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide

C14H23NO5S — CID 103180943

IUPAC4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
SMILESCOCCCOCCOc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C14H23NO5S/c1-11-12(2)14(21(15,16)17)6-5-13(11)20-10-9-19-8-4-7-18-3/h5-6H,4,7-10H2,1-3H3,(H2,15,16,17)
InChIKeyKTTRRKGYHLCVDW-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.38
Rot. Bonds9

About 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide

4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide (PubChem CID 103180943) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
PubChem CID103180943
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
SMILESCOCCCOCCOc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C14H23NO5S/c1-11-12(2)14(21(15,16)17)6-5-13(11)20-10-9-19-8-4-7-18-3/h5-6H,4,7-10H2,1-3H3,(H2,15,16,17)
InChIKeyKTTRRKGYHLCVDW-UHFFFAOYSA-N
XLogP1.38
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
4-(4-cyano-4-methylpentoxy)-2,3-dimethylbenzenesulfonamide
CID 82913481
2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82913296
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
CID 82922074
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
4-[2-(3-methoxypropoxy)ethoxy]-3-methylbenzenesulfonyl chloride
CID 103178206
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide (CID 103180943) is 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide is COCCCOCCOc1ccc(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide?
The InChIKey is KTTRRKGYHLCVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-11-12(2)14(21(15,16)17)6-5-13(11)20-10-9-19-8-4-7-18-3/h5-6H,4,7-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide?
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 103180943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).