2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide

C11H16BrN3O3S — CID 79797019

IUPAC2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-3-11(2,13)10(16)15-9-5-4-7(6-8(9)12)19(14,17)18/h4-6H,3,13H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyQSIIPEMZKICDPK-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide

2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide (PubChem CID 79797019) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide
PubChem CID79797019
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-3-11(2,13)10(16)15-9-5-4-7(6-8(9)12)19(14,17)18/h4-6H,3,13H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyQSIIPEMZKICDPK-UHFFFAOYSA-N
XLogP1.16
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
5-bromo-N-(2-bromo-4-sulfamoylphenyl)furan-2-carboxamide
CID 61128224
2-amino-N-[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]acetamide
CID 10666501

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide (CID 79797019) is 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide?
The InChIKey is QSIIPEMZKICDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-3-11(2,13)10(16)15-9-5-4-7(6-8(9)12)19(14,17)18/h4-6H,3,13H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide?
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide has a molecular weight of 350.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide is sourced from PubChem (CID 79797019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).