3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide

C18H19N3O3S — CID 3755819

IUPAC3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2OC(C)C)c1
InChIInChI=1S/C18H19N3O3S/c1-12(2)24-18-17(19-15-9-4-5-10-16(15)20-18)21-25(22,23)14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,19,21)
InChIKeySWACLLNINDZSDW-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.53
Rot. Bonds5

About 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide

3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide (PubChem CID 3755819) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
PubChem CID3755819
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2OC(C)C)c1
InChIInChI=1S/C18H19N3O3S/c1-12(2)24-18-17(19-15-9-4-5-10-16(15)20-18)21-25(22,23)14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,19,21)
InChIKeySWACLLNINDZSDW-UHFFFAOYSA-N
XLogP3.53
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide (CID 3755819) is 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2OC(C)C)c1.
What is the InChIKey of 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is SWACLLNINDZSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(2)24-18-17(19-15-9-4-5-10-16(15)20-18)21-25(22,23)14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,19,21).
What are the key properties of 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3755819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).