4-butoxy-3-methylbenzenesulfonamide

C11H17NO3S — CID 43164510

IUPAC4-butoxy-3-methylbenzenesulfonamide
SMILESCCCCOc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H17NO3S/c1-3-4-7-15-11-6-5-10(8-9(11)2)16(12,13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyXZWVAHZDHMDSDV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.82
Rot. Bonds5

About 4-butoxy-3-methylbenzenesulfonamide

4-butoxy-3-methylbenzenesulfonamide (PubChem CID 43164510) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-butoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-3-methylbenzenesulfonamide
PubChem CID43164510
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-butoxy-3-methylbenzenesulfonamide
SMILESCCCCOc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H17NO3S/c1-3-4-7-15-11-6-5-10(8-9(11)2)16(12,13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyXZWVAHZDHMDSDV-UHFFFAOYSA-N
XLogP1.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
3-methyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921881
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
4-hexoxy-3-methylbenzenesulfonic acid
CID 87682084
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methylbenzenesulfonamide?
The IUPAC name of 4-butoxy-3-methylbenzenesulfonamide (CID 43164510) is 4-butoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-butoxy-3-methylbenzenesulfonamide?
The canonical SMILES for 4-butoxy-3-methylbenzenesulfonamide is CCCCOc1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-butoxy-3-methylbenzenesulfonamide?
The InChIKey is XZWVAHZDHMDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-4-7-15-11-6-5-10(8-9(11)2)16(12,13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-butoxy-3-methylbenzenesulfonamide?
4-butoxy-3-methylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 43164510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).