4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C11H13N3O3S — CID 43154654

IUPAC4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)14-18(15,16)10-5-3-9(12-2)4-6-10/h3-7,12H,1-2H3,(H,13,14)
InChIKeyZRXDSRHCGYXVTI-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.83
Rot. Bonds4

About 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 43154654) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID43154654
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)14-18(15,16)10-5-3-9(12-2)4-6-10/h3-7,12H,1-2H3,(H,13,14)
InChIKeyZRXDSRHCGYXVTI-UHFFFAOYSA-N
XLogP1.83
TPSA84.23 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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 43154654) is 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ZRXDSRHCGYXVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)14-18(15,16)10-5-3-9(12-2)4-6-10/h3-7,12H,1-2H3,(H,13,14).
What are the key properties of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 43154654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).