5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

C14H23BrN2O2S — CID 114625278

IUPAC5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C14H23BrN2O2S/c1-9(2)8-17(10(3)4)20(18,19)14-7-13(16)12(15)6-11(14)5/h6-7,9-10H,8,16H2,1-5H3
InChIKeyCMTZCUGKHUCHHF-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.39
Rot. Bonds5

About 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 114625278) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID114625278
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C14H23BrN2O2S/c1-9(2)8-17(10(3)4)20(18,19)14-7-13(16)12(15)6-11(14)5/h6-7,9-10H,8,16H2,1-5H3
InChIKeyCMTZCUGKHUCHHF-UHFFFAOYSA-N
XLogP3.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 114625158
4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 79588513
2-[(5-amino-4-bromo-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114625351
5-amino-4-bromo-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114626035
2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 61112978
5-amino-4-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114625910
5-amino-4-bromo-N-ethyl-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 114626005
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565
5-amino-4-bromo-N-(2-cyanoethyl)-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 116529778
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 114625278) is 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CMTZCUGKHUCHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-9(2)8-17(10(3)4)20(18,19)14-7-13(16)12(15)6-11(14)5/h6-7,9-10H,8,16H2,1-5H3.
What are the key properties of 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114625278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).