1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea

C9H12BrN3O3S — CID 116645966

IUPAC1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C9H12BrN3O3S/c1-2-12-9(14)13-17(15,16)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3,(H2,12,13,14)
InChIKeyCSZXQQPLNHFJLM-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.04
Rot. Bonds3

About 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea

1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea (PubChem CID 116645966) has the molecular formula C9H12BrN3O3S and a molecular weight of 322.18 g/mol. Its IUPAC name is 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
PubChem CID116645966
Molecular FormulaC9H12BrN3O3S
Molecular Weight322.18 g/mol
Exact Mass320.98
IUPAC Name1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C9H12BrN3O3S/c1-2-12-9(14)13-17(15,16)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3,(H2,12,13,14)
InChIKeyCSZXQQPLNHFJLM-UHFFFAOYSA-N
XLogP1.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea 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
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea
CID 114626310
1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea
CID 116645965
N-(4-amino-3-methylphenyl)sulfonylpropanamide
CID 23596867
4-amino-3-bromo-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65102662
2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
CID 115597824
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
methyl 3-[(4-amino-3-bromophenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213744
4-amino-3-bromobenzenesulfonic acid
CID 18398323
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
4-amino-3-bromo-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65309900

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea?
The IUPAC name of 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea (CID 116645966) is 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea.
What is the SMILES notation for 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea?
The canonical SMILES for 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea is CCNC(=O)NS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea?
The InChIKey is CSZXQQPLNHFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3S/c1-2-12-9(14)13-17(15,16)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea?
1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea has a molecular weight of 322.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea is sourced from PubChem (CID 116645966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).