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

C11H13N3O5S2 — CID 62162311

IUPAC2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2N)on1
InChIInChI=1S/C11H13N3O5S2/c1-7-5-11(19-13-7)14-21(17,18)10-6-8(20(2,15)16)3-4-9(10)12/h3-6,14H,12H2,1-2H3
InChIKeyQSWZUAUGVWREDH-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.77
Rot. Bonds4

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

2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 62162311) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide
PubChem CID62162311
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2N)on1
InChIInChI=1S/C11H13N3O5S2/c1-7-5-11(19-13-7)14-21(17,18)10-6-8(20(2,15)16)3-4-9(10)12/h3-6,14H,12H2,1-2H3
InChIKeyQSWZUAUGVWREDH-UHFFFAOYSA-N
XLogP0.77
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 54888419
4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 115944383
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 62162658
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 29037888
5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60823742
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
CID 62163004
N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 107860458
N-(3-methyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629066
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
CID 64851285
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727
4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
CID 43440462

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide (CID 62162311) is 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2N)on1.
What is the InChIKey of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is QSWZUAUGVWREDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c1-7-5-11(19-13-7)14-21(17,18)10-6-8(20(2,15)16)3-4-9(10)12/h3-6,14H,12H2,1-2H3.
What are the key properties of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide?
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 331.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 62162311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).