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

C10H14BrN3O3S — CID 61265216

IUPAC2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C10H14BrN3O3S/c1-10(2,12)9(15)14-8-4-3-6(5-7(8)11)18(13,16)17/h3-5H,12H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyKRQCAWLZHHNKFR-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.77
Rot. Bonds3

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

2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide (PubChem CID 61265216) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
PubChem CID61265216
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C10H14BrN3O3S/c1-10(2,12)9(15)14-8-4-3-6(5-7(8)11)18(13,16)17/h3-5H,12H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyKRQCAWLZHHNKFR-UHFFFAOYSA-N
XLogP0.77
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide
CID 79797019
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
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
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-methylpropanamide?
The IUPAC name of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide (CID 61265216) is 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide?
The InChIKey is KRQCAWLZHHNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-10(2,12)9(15)14-8-4-3-6(5-7(8)11)18(13,16)17/h3-5H,12H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide?
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide has a molecular weight of 336.21 g/mol, XLogP of 0.77, 3 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-methylpropanamide is sourced from PubChem (CID 61265216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).