N-butyl-1,3-benzoxazole-6-sulfonamide

C11H14N2O3S — CID 110759607

IUPACN-butyl-1,3-benzoxazole-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C11H14N2O3S/c1-2-3-6-13-17(14,15)9-4-5-10-11(7-9)16-8-12-10/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyFIDGODBGCQRZRP-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.91
Rot. Bonds5

About N-butyl-1,3-benzoxazole-6-sulfonamide

N-butyl-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759607) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-butyl-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,3-benzoxazole-6-sulfonamide
PubChem CID110759607
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-butyl-1,3-benzoxazole-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C11H14N2O3S/c1-2-3-6-13-17(14,15)9-4-5-10-11(7-9)16-8-12-10/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyFIDGODBGCQRZRP-UHFFFAOYSA-N
XLogP1.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110791001
N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 110759634
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
N-butyl-2-methylsulfonyl-3H-benzimidazole-5-sulfonamide
CID 123698941
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-(1,3-benzoxazol-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110785043
N-(1,3-benzoxazol-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110785042
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-butyl-1,3-benzoxazole-6-sulfonamide (CID 110759607) is N-butyl-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-butyl-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-butyl-1,3-benzoxazole-6-sulfonamide is CCCCNS(=O)(=O)c1ccc2ncoc2c1.
What is the InChIKey of N-butyl-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FIDGODBGCQRZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-3-6-13-17(14,15)9-4-5-10-11(7-9)16-8-12-10/h4-5,7-8,13H,2-3,6H2,1H3.
What are the key properties of N-butyl-1,3-benzoxazole-6-sulfonamide?
N-butyl-1,3-benzoxazole-6-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).