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

C10H11N3O3S — CID 5329

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IUPAC4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKeyJLKIGFTWXXRPMT-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.37
Rot. Bonds3

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

4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 5329) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID5329
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKeyJLKIGFTWXXRPMT-UHFFFAOYSA-N
XLogP1.37
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.37
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

N(4)-acetylsulfamethoxazole
CID 65280
Sulfamethoxazole hydroxylamine
CID 114821
Sulfatroxazole
CID 31771
4-Nitrososulfamethoxazole
CID 125483
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 705643
4-Butyl-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 562945
Acetylsulfisomezole
CID 87725
N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 3436326
N-dimethyl-sulfamethoxazole
CID 162661006
5-Hydroxysulfamethoxazole
CID 10355717
4-N-methyl-sulfamethoxazole
CID 43154654
4-isobutyl-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 756351

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 5329) is 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.
What is the InChIKey of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is JLKIGFTWXXRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 5329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).