4-phenyl-N-propan-2-yloxybenzenesulfonamide

C15H17NO3S — CID 59272998

IUPAC4-phenyl-N-propan-2-yloxybenzenesulfonamide
SMILESCC(C)ONS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12(2)19-16-20(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3
InChIKeyCFUYRQCRHOSJKM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.97
Rot. Bonds5

About 4-phenyl-N-propan-2-yloxybenzenesulfonamide

4-phenyl-N-propan-2-yloxybenzenesulfonamide (PubChem CID 59272998) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-propan-2-yloxybenzenesulfonamide
PubChem CID59272998
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-phenyl-N-propan-2-yloxybenzenesulfonamide
SMILESCC(C)ONS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12(2)19-16-20(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3
InChIKeyCFUYRQCRHOSJKM-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide
CID 122212592
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
4-phenyl-N-propoxybenzenesulfonamide
CID 175370180
N-(1-aminoethyl)-4-phenylbenzenesulfonamide;hydrochloride
CID 175511527
N-(1,1-dimethoxypropan-2-yl)-4-phenylbenzenesulfonamide
CID 25039128
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
N-(difluoromethoxy)benzenesulfonamide
CID 154499531
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
methyl 3-methyl-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 3854139
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-phenyl-N-propan-2-yloxybenzenesulfonamide (CID 59272998) is 4-phenyl-N-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-phenyl-N-propan-2-yloxybenzenesulfonamide is CC(C)ONS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-propan-2-yloxybenzenesulfonamide?
The InChIKey is CFUYRQCRHOSJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12(2)19-16-20(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3.
What are the key properties of 4-phenyl-N-propan-2-yloxybenzenesulfonamide?
4-phenyl-N-propan-2-yloxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 59272998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).