3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide

C15H23NO3S — CID 113236594

IUPAC3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-5-6-7-10-16-20(17,18)14-8-9-15(13(4)11-14)19-12(2)3/h5-6,8-9,11-12,16H,7,10H2,1-4H3/b6-5+
InChIKeyGCIQFVZJFPNICA-AATRIKPKSA-N
MW297.42 g/mol
LogP3.03
Rot. Bonds7

About 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide

3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113236594) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113236594
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-5-6-7-10-16-20(17,18)14-8-9-15(13(4)11-14)19-12(2)3/h5-6,8-9,11-12,16H,7,10H2,1-4H3/b6-5+
InChIKeyGCIQFVZJFPNICA-AATRIKPKSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.03
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

N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398
4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465284
N-(cyanomethyl)-2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 138997268

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide (CID 113236594) is 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide is C/C=C/CCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is GCIQFVZJFPNICA-AATRIKPKSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-6-7-10-16-20(17,18)14-8-9-15(13(4)11-14)19-12(2)3/h5-6,8-9,11-12,16H,7,10H2,1-4H3/b6-5+.
What are the key properties of 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide?
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113236594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).