2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide

C9H12BrN3O3S — CID 54889044

IUPAC2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1N)C(N)=O
InChIInChI=1S/C9H12BrN3O3S/c1-5(9(12)14)13-17(15,16)8-4-6(10)2-3-7(8)11/h2-5,13H,11H2,1H3,(H2,12,14)
InChIKeyQGIUHCWTYGTTTN-UHFFFAOYSA-N
MW322.18 g/mol
LogP0.18
Rot. Bonds4

About 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide

2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide (PubChem CID 54889044) has the molecular formula C9H12BrN3O3S and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
PubChem CID54889044
Molecular FormulaC9H12BrN3O3S
Molecular Weight322.18 g/mol
Exact Mass320.98
IUPAC Name2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1N)C(N)=O
InChIInChI=1S/C9H12BrN3O3S/c1-5(9(12)14)13-17(15,16)8-4-6(10)2-3-7(8)11/h2-5,13H,11H2,1H3,(H2,12,14)
InChIKeyQGIUHCWTYGTTTN-UHFFFAOYSA-N
XLogP0.18
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 50.18
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

(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
(2R)-2-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid
CID 54991350
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
methyl 2-[(5-bromo-2-nitrophenyl)sulfonylamino]propanoate
CID 61051644
1-(2-amino-5-bromophenyl)sulfonyl-3-tert-butylurea
CID 116646538
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide
CID 103077289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide (CID 54889044) is 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1cc(Br)ccc1N)C(N)=O.
What is the InChIKey of 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide?
The InChIKey is QGIUHCWTYGTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3S/c1-5(9(12)14)13-17(15,16)8-4-6(10)2-3-7(8)11/h2-5,13H,11H2,1H3,(H2,12,14).
What are the key properties of 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide?
2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide has a molecular weight of 322.18 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 54889044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).