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

C10H10ClN3O3S — CID 62904150

IUPAC3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C10H10ClN3O3S/c1-6-8(11)4-7(5-9(6)12)18(15,16)14-10-2-3-17-13-10/h2-5H,12H2,1H3,(H,13,14)
InChIKeyITKRIFYZEORJPN-UHFFFAOYSA-N
MW287.73 g/mol
LogP2.02
Rot. Bonds3

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

3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62904150) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62904150
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C10H10ClN3O3S/c1-6-8(11)4-7(5-9(6)12)18(15,16)14-10-2-3-17-13-10/h2-5H,12H2,1H3,(H,13,14)
InChIKeyITKRIFYZEORJPN-UHFFFAOYSA-N
XLogP2.02
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 62904150) is 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2ccon2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ITKRIFYZEORJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-6-8(11)4-7(5-9(6)12)18(15,16)14-10-2-3-17-13-10/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 287.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62904150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).