N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide

C11H17NO5S2 — CID 129056904

IUPACN-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO5S2/c1-11(2,3)17-12-19(15,16)10-8-6-5-7-9(10)18(4,13)14/h5-8,12H,1-4H3
InChIKeyLPXMJDLPKMKNAI-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.10
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide

N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide (PubChem CID 129056904) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
PubChem CID129056904
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO5S2/c1-11(2,3)17-12-19(15,16)10-8-6-5-7-9(10)18(4,13)14/h5-8,12H,1-4H3
InChIKeyLPXMJDLPKMKNAI-UHFFFAOYSA-N
XLogP1.10
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
CID 129056963
2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724737
3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide
CID 137428400
[(2-methylsulfonylphenyl)sulfonylamino] 2-[acetyl(methyl)amino]acetate
CID 53241355
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide
CID 55532187
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide (CID 129056904) is N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide is CC(C)(C)ONS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is LPXMJDLPKMKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-11(2,3)17-12-19(15,16)10-8-6-5-7-9(10)18(4,13)14/h5-8,12H,1-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide?
N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 129056904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).