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

C10H11N3O3S — CID 140762991

IUPAC3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1nocc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H11N3O3S/c1-7-10(6-16-12-7)13-17(14,15)9-4-2-3-8(11)5-9/h2-6,13H,11H2,1H3
InChIKeyLFRSAUWTKCBNPE-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.37
Rot. Bonds3

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

3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 140762991) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID140762991
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1nocc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H11N3O3S/c1-7-10(6-16-12-7)13-17(14,15)9-4-2-3-8(11)5-9/h2-6,13H,11H2,1H3
InChIKeyLFRSAUWTKCBNPE-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

3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide
CID 54386633
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
3-amino-N-(2,1,3-benzoxadiazol-5-yl)benzenesulfonamide
CID 19691907
3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide
CID 160556057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 140762991) is 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide is Cc1nocc1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is LFRSAUWTKCBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-10(6-16-12-7)13-17(14,15)9-4-2-3-8(11)5-9/h2-6,13H,11H2,1H3.
What are the key properties of 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
3-amino-N-(3-methyl-1,2-oxazol-4-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 3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 140762991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).