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

C9H8ClN3O3S — CID 55131833

IUPAC4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccon2)c(Cl)c1
InChIInChI=1S/C9H8ClN3O3S/c10-7-5-6(11)1-2-8(7)17(14,15)13-9-3-4-16-12-9/h1-5H,11H2,(H,12,13)
InChIKeyXCUJBYDXBIYFLF-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.71
Rot. Bonds3

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

4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 55131833) has the molecular formula C9H8ClN3O3S and a molecular weight of 273.70 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID55131833
Molecular FormulaC9H8ClN3O3S
Molecular Weight273.70 g/mol
Exact Mass273.00
IUPAC Name4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccon2)c(Cl)c1
InChIInChI=1S/C9H8ClN3O3S/c10-7-5-6(11)1-2-8(7)17(14,15)13-9-3-4-16-12-9/h1-5H,11H2,(H,12,13)
InChIKeyXCUJBYDXBIYFLF-UHFFFAOYSA-N
XLogP1.71
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902060
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 60660830
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 55131833) is 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccon2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is XCUJBYDXBIYFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3S/c10-7-5-6(11)1-2-8(7)17(14,15)13-9-3-4-16-12-9/h1-5H,11H2,(H,12,13).
What are the key properties of 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 273.70 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 55131833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).