4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide

C15H22BrNO2S — CID 63203522

IUPAC4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
SMILESCC(C)(C)C(Br)Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H22BrNO2S/c1-15(2,3)14(16)10-11-4-8-13(9-5-11)20(18,19)17-12-6-7-12/h4-5,8-9,12,14,17H,6-7,10H2,1-3H3
InChIKeyCXBFNZBIXWGTBT-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.48
Rot. Bonds5

About 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide

4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide (PubChem CID 63203522) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
PubChem CID63203522
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
SMILESCC(C)(C)C(Br)Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H22BrNO2S/c1-15(2,3)14(16)10-11-4-8-13(9-5-11)20(18,19)17-12-6-7-12/h4-5,8-9,12,14,17H,6-7,10H2,1-3H3
InChIKeyCXBFNZBIXWGTBT-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

N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203328
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide
CID 75399114
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
4-(3-bromopentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 63561221
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide (CID 63203522) is 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide is CC(C)(C)C(Br)Cc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is CXBFNZBIXWGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-15(2,3)14(16)10-11-4-8-13(9-5-11)20(18,19)17-12-6-7-12/h4-5,8-9,12,14,17H,6-7,10H2,1-3H3.
What are the key properties of 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide?
4-(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 4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 63203522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).