N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide

C14H23NO3S — CID 82723408

IUPACN-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NOC(C)(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)10-12-6-8-13(9-7-12)19(16,17)15-18-14(3,4)5/h6-9,11,15H,10H2,1-5H3
InChIKeyLVBBZOPPALRWOW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.89
Rot. Bonds5

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

N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 82723408) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID82723408
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NOC(C)(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)10-12-6-8-13(9-7-12)19(16,17)15-18-14(3,4)5/h6-9,11,15H,10H2,1-5H3
InChIKeyLVBBZOPPALRWOW-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.89
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-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82725108
4-(cyanomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724630
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide (CID 82723408) is N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NOC(C)(C)C)cc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LVBBZOPPALRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)10-12-6-8-13(9-7-12)19(16,17)15-18-14(3,4)5/h6-9,11,15H,10H2,1-5H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide?
N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.89, 5 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 82723408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).