5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide

C9H7ClFN3O3S — CID 62903482

IUPAC5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cnoc2)c1
InChIInChI=1S/C9H7ClFN3O3S/c10-7-1-5(12)2-8(9(7)11)18(15,16)14-6-3-13-17-4-6/h1-4,14H,12H2
InChIKeyCBSVQPFUUISOEJ-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.85
Rot. Bonds3

About 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62903482) has the molecular formula C9H7ClFN3O3S and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62903482
Molecular FormulaC9H7ClFN3O3S
Molecular Weight291.69 g/mol
Exact Mass290.99
IUPAC Name5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cnoc2)c1
InChIInChI=1S/C9H7ClFN3O3S/c10-7-1-5(12)2-8(9(7)11)18(15,16)14-6-3-13-17-4-6/h1-4,14H,12H2
InChIKeyCBSVQPFUUISOEJ-UHFFFAOYSA-N
XLogP1.85
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)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-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125327
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 61464277
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62903482) is 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)Nc2cnoc2)c1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is CBSVQPFUUISOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O3S/c10-7-1-5(12)2-8(9(7)11)18(15,16)14-6-3-13-17-4-6/h1-4,14H,12H2.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 291.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62903482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).