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

C11H16BrNO3S — CID 82725108

IUPAC4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H16BrNO3S/c1-11(2,3)16-13-17(14,15)10-6-4-9(8-12)5-7-10/h4-7,13H,8H2,1-3H3
InChIKeyNDFMKIKEWGDFCF-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.59
Rot. Bonds4

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

4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (PubChem CID 82725108) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
PubChem CID82725108
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H16BrNO3S/c1-11(2,3)16-13-17(14,15)10-6-4-9(8-12)5-7-10/h4-7,13H,8H2,1-3H3
InChIKeyNDFMKIKEWGDFCF-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
CID 82723408
4-(cyanomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724630
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
4-(bromomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107155426
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
CID 88616743
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
4-(bromomethyl)-N-[2-(dimethylamino)-3-methylbutyl]benzenesulfonamide
CID 65482009
4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 65480400
3-[[4-(bromomethyl)phenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279745
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (CID 82725108) is 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is CC(C)(C)ONS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The InChIKey is NDFMKIKEWGDFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-11(2,3)16-13-17(14,15)10-6-4-9(8-12)5-7-10/h4-7,13H,8H2,1-3H3.
What are the key properties of 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 82725108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).