1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea

C11H16BrN3O3S — CID 116645811

IUPAC1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-2-3-6-14-11(16)15-19(17,18)10-7-8(13)4-5-9(10)12/h4-5,7H,2-3,6,13H2,1H3,(H2,14,15,16)
InChIKeyONKVSCCDDKZOKG-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.82
Rot. Bonds5

About 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea

1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea (PubChem CID 116645811) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea.

Molecular Properties

Compound Name1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
PubChem CID116645811
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-2-3-6-14-11(16)15-19(17,18)10-7-8(13)4-5-9(10)12/h4-5,7H,2-3,6,13H2,1H3,(H2,14,15,16)
InChIKeyONKVSCCDDKZOKG-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.82
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'}

Analyze 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-bromophenyl)sulfonyl-3-butylurea
CID 116645809
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
1-(2-amino-4,6-dibromophenyl)sulfonyl-3-butylurea
CID 116645739
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
1-(5-amino-2-chloro-4-methylphenyl)sulfonyl-3-butylurea
CID 116645763
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea?
The IUPAC name of 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea (CID 116645811) is 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea.
What is the SMILES notation for 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea?
The canonical SMILES for 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea is CCCCNC(=O)NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea?
The InChIKey is ONKVSCCDDKZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-2-3-6-14-11(16)15-19(17,18)10-7-8(13)4-5-9(10)12/h4-5,7H,2-3,6,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea?
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea has a molecular weight of 350.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea is sourced from PubChem (CID 116645811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).