2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide

C15H22BrNO2S — CID 63203328

IUPAC2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
SMILESCC(C)(C)C(Br)Cc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C15H22BrNO2S/c1-15(2,3)14(16)10-11-6-4-5-7-13(11)20(18,19)17-12-8-9-12/h4-7,12,14,17H,8-10H2,1-3H3
InChIKeyUWIDXYMIJNRMMX-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide

2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide (PubChem CID 63203328) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
PubChem CID63203328
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
SMILESCC(C)(C)C(Br)Cc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C15H22BrNO2S/c1-15(2,3)14(16)10-11-6-4-5-7-13(11)20(18,19)17-12-8-9-12/h4-7,12,14,17H,8-10H2,1-3H3
InChIKeyUWIDXYMIJNRMMX-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203522
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 63351840
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 55220897

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide (CID 63203328) is 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide is CC(C)(C)C(Br)Cc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is UWIDXYMIJNRMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-15(2,3)14(16)10-11-6-4-5-7-13(11)20(18,19)17-12-8-9-12/h4-7,12,14,17H,8-10H2,1-3H3.
What are the key properties of 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 63203328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).