N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide

C16H19NO3S — CID 175441689

IUPACN-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)20-17-21(18,19)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,17H,1-3H3
InChIKeyOKCFTTFFVNYYJI-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.36
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide

N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide (PubChem CID 175441689) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
PubChem CID175441689
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)20-17-21(18,19)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,17H,1-3H3
InChIKeyOKCFTTFFVNYYJI-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.36
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-phenyl-N-propan-2-yloxybenzenesulfonamide
CID 59272998
4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82725108
4-phenyl-N-propoxybenzenesulfonamide
CID 175370180
N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
CID 82723408
N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
CID 129056904
4-(cyanomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724630
3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
tert-butyl 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 75113060
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide (CID 175441689) is N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide is CC(C)(C)ONS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide?
The InChIKey is OKCFTTFFVNYYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(2,3)20-17-21(18,19)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,17H,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide?
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 175441689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).