5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C11H13N3O3S — CID 106413894

IUPAC5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C11H13N3O3S/c1-8-2-3-9(12)6-11(8)18(15,16)14-7-10-4-5-13-17-10/h2-6,14H,7,12H2,1H3
InChIKeyFKHIOWWHOKCDFA-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.04
Rot. Bonds4

About 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106413894) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106413894
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C11H13N3O3S/c1-8-2-3-9(12)6-11(8)18(15,16)14-7-10-4-5-13-17-10/h2-6,14H,7,12H2,1H3
InChIKeyFKHIOWWHOKCDFA-UHFFFAOYSA-N
XLogP1.04
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.04
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

5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423616
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004
3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423882
4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419547
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106413894) is 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is FKHIOWWHOKCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-2-3-9(12)6-11(8)18(15,16)14-7-10-4-5-13-17-10/h2-6,14H,7,12H2,1H3.
What are the key properties of 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106413894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).