4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide

C14H21NO3S — CID 27243561

IUPAC4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OCCCC)c(C)c1
InChIInChI=1S/C14H21NO3S/c1-4-6-10-18-14-8-7-13(11-12(14)3)19(16,17)15-9-5-2/h5,7-8,11,15H,2,4,6,9-10H2,1,3H3
InChIKeyVRUSWVMLUXROBY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.64
Rot. Bonds8

About 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide

4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 27243561) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID27243561
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OCCCC)c(C)c1
InChIInChI=1S/C14H21NO3S/c1-4-6-10-18-14-8-7-13(11-12(14)3)19(16,17)15-9-5-2/h5,7-8,11,15H,2,4,6,9-10H2,1,3H3
InChIKeyVRUSWVMLUXROBY-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-N-prop-2-enylbenzenesulfonamide
CID 43845618
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 91758551
4-hexoxy-3-methylbenzenesulfonic acid
CID 87682084
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
2-(2,5-dimethylphenoxy)ethyl 4-(prop-2-enylsulfamoyl)benzoate
CID 42330839
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide (CID 27243561) is 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(OCCCC)c(C)c1.
What is the InChIKey of 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is VRUSWVMLUXROBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-6-10-18-14-8-7-13(11-12(14)3)19(16,17)15-9-5-2/h5,7-8,11,15H,2,4,6,9-10H2,1,3H3.
What are the key properties of 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide?
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 27243561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).