3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide

C11H14ClNO3S — CID 114473013

IUPAC3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
SMILESC=C(C)CCOc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-8(2)5-6-16-11-4-3-9(7-10(11)12)17(13,14)15/h3-4,7H,1,5-6H2,2H3,(H2,13,14,15)
InChIKeyGJNAUNIZMVJIFQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.33
Rot. Bonds5

About 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide

3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide (PubChem CID 114473013) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
PubChem CID114473013
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
SMILESC=C(C)CCOc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-8(2)5-6-16-11-4-3-9(7-10(11)12)17(13,14)15/h3-4,7H,1,5-6H2,2H3,(H2,13,14,15)
InChIKeyGJNAUNIZMVJIFQ-UHFFFAOYSA-N
XLogP2.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
tert-butyl 16-(2-chloro-4-sulfamoylphenoxy)hexadecanoate
CID 170650786
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
(E)-3-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]prop-2-enoic acid
CID 114472912
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide
CID 82921140

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide (CID 114473013) is 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide is C=C(C)CCOc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide?
The InChIKey is GJNAUNIZMVJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-8(2)5-6-16-11-4-3-9(7-10(11)12)17(13,14)15/h3-4,7H,1,5-6H2,2H3,(H2,13,14,15).
What are the key properties of 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide?
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide has a molecular weight of 275.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide is sourced from PubChem (CID 114473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).