N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide

C11H17BrN2O2S — CID 115303618

IUPACN-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)N)ccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-8-6-9(4-5-10(8)12)17(15,16)14-7-11(2,3)13/h4-6,14H,7,13H2,1-3H3
InChIKeySSMKCYSSHFNZKT-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.77
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide

N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide (PubChem CID 115303618) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
PubChem CID115303618
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)N)ccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-8-6-9(4-5-10(8)12)17(15,16)14-7-11(2,3)13/h4-6,14H,7,13H2,1-3H3
InChIKeySSMKCYSSHFNZKT-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-bromo-3-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606030
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
N-(2-amino-2-methylpropyl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119988333
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide (CID 115303618) is N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(C)N)ccc1Br.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide?
The InChIKey is SSMKCYSSHFNZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8-6-9(4-5-10(8)12)17(15,16)14-7-11(2,3)13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide?
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide is sourced from PubChem (CID 115303618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).