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

C12H16BrNO2S — CID 103697730

IUPAC3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H16BrNO2S/c1-12(2,9-6-7-9)14-17(15,16)11-5-3-4-10(13)8-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyLZGMKCMSUHQAFD-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.92
Rot. Bonds4

About 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide

3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide (PubChem CID 103697730) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
PubChem CID103697730
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H16BrNO2S/c1-12(2,9-6-7-9)14-17(15,16)11-5-3-4-10(13)8-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyLZGMKCMSUHQAFD-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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Related Compounds

5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 114110390
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060255
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
lithium 3-bromobenzenesulfonate
CID 139842272
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63422973

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide (CID 103697730) is 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
The InChIKey is LZGMKCMSUHQAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2,9-6-7-9)14-17(15,16)11-5-3-4-10(13)8-11/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide?
3-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 3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103697730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).