3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C13H18BrNO2S — CID 79357259

IUPAC3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2cccc(Br)c2)C1(C)C
InChIInChI=1S/C13H18BrNO2S/c1-12(2)11(13(12,3)4)15-18(16,17)10-7-5-6-9(14)8-10/h5-8,11,15H,1-4H3
InChIKeyFOYUACUHHYNYPA-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.16
Rot. Bonds3

About 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79357259) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79357259
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2cccc(Br)c2)C1(C)C
InChIInChI=1S/C13H18BrNO2S/c1-12(2)11(13(12,3)4)15-18(16,17)10-7-5-6-9(14)8-10/h5-8,11,15H,1-4H3
InChIKeyFOYUACUHHYNYPA-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
3-bromo-N-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]benzenesulfonamide
CID 176717248
3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 94798825
3-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzenesulfonamide
CID 51121937
lithium 3-bromobenzenesulfonate
CID 139842272
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79357259) is 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2cccc(Br)c2)C1(C)C.
What is the InChIKey of 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is FOYUACUHHYNYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-12(2)11(13(12,3)4)15-18(16,17)10-7-5-6-9(14)8-10/h5-8,11,15H,1-4H3.
What are the key properties of 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79357259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).