3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide

C12H18BrN3O3S — CID 106274860

IUPAC3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H18BrN3O3S/c1-7-9(14)4-8(13)5-10(7)20(18,19)16-6-12(2,3)11(15)17/h4-5,16H,6,14H2,1-3H3,(H2,15,17)
InChIKeyRTZOJEWLFYDHMN-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.13
Rot. Bonds5

About 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide

3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106274860) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106274860
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC Name3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H18BrN3O3S/c1-7-9(14)4-8(13)5-10(7)20(18,19)16-6-12(2,3)11(15)17/h4-5,16H,6,14H2,1-3H3,(H2,15,17)
InChIKeyRTZOJEWLFYDHMN-UHFFFAOYSA-N
XLogP1.13
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127
3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
3-amino-5-bromo-N-(3-ethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 114379785
3-amino-5-bromo-N-(4-hydroxypentyl)-2-methylbenzenesulfonamide
CID 106119259
3-amino-5-bromo-2-methyl-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 114380334

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide (CID 106274860) is 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide is Cc1c(N)cc(Br)cc1S(=O)(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is RTZOJEWLFYDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-7-9(14)4-8(13)5-10(7)20(18,19)16-6-12(2,3)11(15)17/h4-5,16H,6,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 364.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).