3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride

C11H16ClNO5S2 — CID 113450286

IUPAC3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
SMILESCOC(C)(C)CNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO5S2/c1-11(2,18-3)8-13-20(16,17)10-6-4-5-9(7-10)19(12,14)15/h4-7,13H,8H2,1-3H3
InChIKeySSPQBBCOOUTCRN-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.32
Rot. Bonds6

About 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride

3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride (PubChem CID 113450286) has the molecular formula C11H16ClNO5S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
PubChem CID113450286
Molecular FormulaC11H16ClNO5S2
Molecular Weight341.84 g/mol
Exact Mass341.02
IUPAC Name3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
SMILESCOC(C)(C)CNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO5S2/c1-11(2,18-3)8-13-20(16,17)10-6-4-5-9(7-10)19(12,14)15/h4-7,13H,8H2,1-3H3
InChIKeySSPQBBCOOUTCRN-UHFFFAOYSA-N
XLogP1.32
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride
CID 104761565
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride (CID 113450286) is 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride is COC(C)(C)CNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
The InChIKey is SSPQBBCOOUTCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S2/c1-11(2,18-3)8-13-20(16,17)10-6-4-5-9(7-10)19(12,14)15/h4-7,13H,8H2,1-3H3.
What are the key properties of 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride?
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride has a molecular weight of 341.84 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 113450286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).