4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide

C10H14BrN3O3S — CID 54888437

IUPAC4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN3O3S/c11-7-3-4-8(12)9(6-7)18(16,17)14-5-1-2-10(13)15/h3-4,6,14H,1-2,5,12H2,(H2,13,15)
InChIKeySYKDIYXSAFHMCW-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.58
Rot. Bonds6

About 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide

4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide (PubChem CID 54888437) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
PubChem CID54888437
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN3O3S/c11-7-3-4-8(12)9(6-7)18(16,17)14-5-1-2-10(13)15/h3-4,6,14H,1-2,5,12H2,(H2,13,15)
InChIKeySYKDIYXSAFHMCW-UHFFFAOYSA-N
XLogP0.58
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
2-amino-5-bromo-N-hex-5-ynylbenzenesulfonamide
CID 114158353
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643
2-amino-4-bromo-N-pent-4-ynylbenzenesulfonamide
CID 114159863
4-[(5-bromo-2-nitrophenyl)sulfonylamino]butanoic acid
CID 61063298

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide?
The IUPAC name of 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide (CID 54888437) is 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide.
What is the SMILES notation for 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide?
The canonical SMILES for 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide is NC(=O)CCCNS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide?
The InChIKey is SYKDIYXSAFHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c11-7-3-4-8(12)9(6-7)18(16,17)14-5-1-2-10(13)15/h3-4,6,14H,1-2,5,12H2,(H2,13,15).
What are the key properties of 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide?
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide has a molecular weight of 336.21 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 54888437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).