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

CID 5344
CID 5344
CID 10334781
CID 10334781
CID 10423091
CID 10423091
CID 10563752
CID 10563752
CID 10709109
CID 10709109
CID 10444974
CID 10444974
CID 13910945
CID 13910945
CID 18617344
CID 18617344
CID 23665038
CID 23665038
CID 14973486
CID 14973486
CID 22616255
CID 22616255
CID 71312600
CID 71312600

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).