3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide

C9H12BrN3O3S — CID 65202243

IUPAC3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C9H12BrN3O3S/c10-7-2-1-6(11)5-8(7)17(15,16)13-4-3-9(12)14/h1-2,5,13H,3-4,11H2,(H2,12,14)
InChIKeyQNUMZBSUNJQNLO-UHFFFAOYSA-N
MW322.18 g/mol
LogP0.19
Rot. Bonds5

About 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide

3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide (PubChem CID 65202243) has the molecular formula C9H12BrN3O3S and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
PubChem CID65202243
Molecular FormulaC9H12BrN3O3S
Molecular Weight322.18 g/mol
Exact Mass320.98
IUPAC Name3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C9H12BrN3O3S/c10-7-2-1-6(11)5-8(7)17(15,16)13-4-3-9(12)14/h1-2,5,13H,3-4,11H2,(H2,12,14)
InChIKeyQNUMZBSUNJQNLO-UHFFFAOYSA-N
XLogP0.19
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 50.19
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

5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide (CID 65202243) is 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide is NC(=O)CCNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide?
The InChIKey is QNUMZBSUNJQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3S/c10-7-2-1-6(11)5-8(7)17(15,16)13-4-3-9(12)14/h1-2,5,13H,3-4,11H2,(H2,12,14).
What are the key properties of 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide?
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide has a molecular weight of 322.18 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 65202243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).