2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide

C13H19BrN2O3S — CID 81185447

IUPAC2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H19BrN2O3S/c1-8(2)7-16-13(17)9(3)20(18,19)12-5-4-10(14)6-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyKFANWVDXESLWII-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.97
Rot. Bonds5

About 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide

2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide (PubChem CID 81185447) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
PubChem CID81185447
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H19BrN2O3S/c1-8(2)7-16-13(17)9(3)20(18,19)12-5-4-10(14)6-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyKFANWVDXESLWII-UHFFFAOYSA-N
XLogP1.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)sulfonyl-N-butylpropanamide
CID 81184579
2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81182888
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 61368809
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide (CID 81185447) is 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The InChIKey is KFANWVDXESLWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-8(2)7-16-13(17)9(3)20(18,19)12-5-4-10(14)6-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide has a molecular weight of 363.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 81185447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).