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

C11H13N3O3S — CID 10423091

IUPAC3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(N)c2)c1C
InChIInChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-4-9(12)6-10/h3-6,14H,12H2,1-2H3
InChIKeyDYMSUHJDDSKSQV-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.67
Rot. Bonds3

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

3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 10423091) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID10423091
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(N)c2)c1C
InChIInChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-4-9(12)6-10/h3-6,14H,12H2,1-2H3
InChIKeyDYMSUHJDDSKSQV-UHFFFAOYSA-N
XLogP1.67
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 10423091) is 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2cccc(N)c2)c1C.
What is the InChIKey of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is DYMSUHJDDSKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-4-9(12)6-10/h3-6,14H,12H2,1-2H3.
What are the key properties of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10423091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).