3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide

C12H15BrClFN2O3S — CID 103077280

IUPAC3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C1CCCO1
InChIInChI=1S/C12H15BrClFN2O3S/c1-6(8-3-2-4-20-8)17-21(18,19)9-5-7(14)10(13)12(16)11(9)15/h5-6,8,17H,2-4,16H2,1H3
InChIKeyZEIKMLSMEBQAHW-UHFFFAOYSA-N
MW401.69 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide

3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 103077280) has the molecular formula C12H15BrClFN2O3S and a molecular weight of 401.69 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID103077280
Molecular FormulaC12H15BrClFN2O3S
Molecular Weight401.69 g/mol
Exact Mass399.97
IUPAC Name3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C1CCCO1
InChIInChI=1S/C12H15BrClFN2O3S/c1-6(8-3-2-4-20-8)17-21(18,19)9-5-7(14)10(13)12(16)11(9)15/h5-6,8,17H,2-4,16H2,1H3
InChIKeyZEIKMLSMEBQAHW-UHFFFAOYSA-N
XLogP2.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.69
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide 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

2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 103077410
3-amino-4-bromo-N-but-3-en-2-yl-5-chloro-2-fluorobenzenesulfonamide
CID 103077680
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide
CID 103077289
3-amino-5-fluoro-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 116791500
methyl 3-chloro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]sulfamoyl]benzoate
CID 94812176
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103077310
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62829523
3-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43533875
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
3-amino-4-bromo-5-chloro-2-fluoro-N-heptan-2-ylbenzenesulfonamide
CID 103077309
2-amino-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 62146601

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 103077280) is 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C1CCCO1.
What is the InChIKey of 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is ZEIKMLSMEBQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O3S/c1-6(8-3-2-4-20-8)17-21(18,19)9-5-7(14)10(13)12(16)11(9)15/h5-6,8,17H,2-4,16H2,1H3.
What are the key properties of 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 401.69 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).