2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide

C12H16BrNO2S — CID 103697721

IUPAC2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1Br)C1CC1
InChIInChI=1S/C12H16BrNO2S/c1-12(2,9-7-8-9)14-17(15,16)11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyORBYMWXTNHMDTD-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.92
Rot. Bonds4

About 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide

2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide (PubChem CID 103697721) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
PubChem CID103697721
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1Br)C1CC1
InChIInChI=1S/C12H16BrNO2S/c1-12(2,9-7-8-9)14-17(15,16)11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyORBYMWXTNHMDTD-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide (CID 103697721) is 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccccc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
The InChIKey is ORBYMWXTNHMDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2,9-7-8-9)14-17(15,16)11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103697721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).