4-phenyl-N-propoxybenzenesulfonamide

C15H17NO3S — CID 175370180

IUPAC4-phenyl-N-propoxybenzenesulfonamide
SMILESCCCONS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-12-19-16-20(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyQDZUMHUUNLNLHR-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.97
Rot. Bonds6

About 4-phenyl-N-propoxybenzenesulfonamide

4-phenyl-N-propoxybenzenesulfonamide (PubChem CID 175370180) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-phenyl-N-propoxybenzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-propoxybenzenesulfonamide
PubChem CID175370180
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-phenyl-N-propoxybenzenesulfonamide
SMILESCCCONS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-12-19-16-20(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyQDZUMHUUNLNLHR-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
4-phenyl-N-propan-2-yloxybenzenesulfonamide
CID 59272998
N-(2-chloroethoxy)benzenesulfonamide
CID 70360166
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
CID 3754148
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propoxybenzenesulfonamide?
The IUPAC name of 4-phenyl-N-propoxybenzenesulfonamide (CID 175370180) is 4-phenyl-N-propoxybenzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-propoxybenzenesulfonamide?
The canonical SMILES for 4-phenyl-N-propoxybenzenesulfonamide is CCCONS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-propoxybenzenesulfonamide?
The InChIKey is QDZUMHUUNLNLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-12-19-16-20(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3.
What are the key properties of 4-phenyl-N-propoxybenzenesulfonamide?
4-phenyl-N-propoxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propoxybenzenesulfonamide is sourced from PubChem (CID 175370180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).