N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide

C13H18N2O3S — CID 141414556

IUPACN-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc2c(C)noc2cc1C
InChIInChI=1S/C13H18N2O3S/c1-4-5-6-19(16,17)15-12-8-11-10(3)14-18-13(11)7-9(12)2/h7-8,15H,4-6H2,1-3H3
InChIKeyNGSFPCLOQFRPFK-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.99
Rot. Bonds5

About N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide

N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide (PubChem CID 141414556) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide
PubChem CID141414556
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc2c(C)noc2cc1C
InChIInChI=1S/C13H18N2O3S/c1-4-5-6-19(16,17)15-12-8-11-10(3)14-18-13(11)7-9(12)2/h7-8,15H,4-6H2,1-3H3
InChIKeyNGSFPCLOQFRPFK-UHFFFAOYSA-N
XLogP2.99
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zonisamide
CID 5734
1,2-Benzoxazol-3-ylmethanesulfonimidic acid
CID 11967800
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
CID 332592
N-((1,2-Benzisoxazol-3-ylmethyl)sulfonyl)acetamide
CID 10467478
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
CID 162664083
3-(Sulfamoylmethyl)-1,2-benzisoxazole sodium salt
CID 23617171
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide
CID 141414497
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide
CID 141414499
2-chloro-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide
CID 141414512
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
CID 141414520
Methyl 2-[(3,6-dimethyl-1,2-benzoxazol-5-yl)sulfamoyl]benzoate
CID 141414521
2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide
CID 141414522

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide (CID 141414556) is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc2c(C)noc2cc1C.
What is the InChIKey of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide?
The InChIKey is NGSFPCLOQFRPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-5-6-19(16,17)15-12-8-11-10(3)14-18-13(11)7-9(12)2/h7-8,15H,4-6H2,1-3H3.
What are the key properties of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide?
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 141414556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).