N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide

C7H16BrNO2S — CID 114294377

IUPACN-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(CBr)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H16BrNO2S/c1-6(5-8)9-12(10,11)7(2,3)4/h6,9H,5H2,1-4H3
InChIKeyLUORHUMSEWJLGV-UHFFFAOYSA-N
MW258.18 g/mol
LogP1.49
Rot. Bonds3

About N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide

N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 114294377) has the molecular formula C7H16BrNO2S and a molecular weight of 258.18 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID114294377
Molecular FormulaC7H16BrNO2S
Molecular Weight258.18 g/mol
Exact Mass257.01
IUPAC NameN-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(CBr)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H16BrNO2S/c1-6(5-8)9-12(10,11)7(2,3)4/h6,9H,5H2,1-4H3
InChIKeyLUORHUMSEWJLGV-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide (CID 114294377) is N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide is CC(CBr)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is LUORHUMSEWJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO2S/c1-6(5-8)9-12(10,11)7(2,3)4/h6,9H,5H2,1-4H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide?
N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 258.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 114294377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).