4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide

C14H23BrN2O2S — CID 43587401

IUPAC4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C14H23BrN2O2S/c1-10(2)8-17(9-11(3)4)20(18,19)14-6-5-12(16)7-13(14)15/h5-7,10-11H,8-9,16H2,1-4H3
InChIKeyUBYYGWUQECJOLN-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.33
Rot. Bonds6

About 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide

4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 43587401) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID43587401
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C14H23BrN2O2S/c1-10(2)8-17(9-11(3)4)20(18,19)14-6-5-12(16)7-13(14)15/h5-7,10-11H,8-9,16H2,1-4H3
InChIKeyUBYYGWUQECJOLN-UHFFFAOYSA-N
XLogP3.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.33
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-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
4-amino-2-bromo-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43571742
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
4-amino-2-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577739
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105488
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 61059512
2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 66619301
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61139569

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 43587401) is 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is UBYYGWUQECJOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-10(2)8-17(9-11(3)4)20(18,19)14-6-5-12(16)7-13(14)15/h5-7,10-11H,8-9,16H2,1-4H3.
What are the key properties of 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide?
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43587401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).