N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C11H14N2O4S — CID 110760630

IUPACN-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H14N2O4S/c1-2-3-6-12-18(15,16)8-4-5-10-9(7-8)13-11(14)17-10/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyKBTGAECIDYRYQX-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.20
Rot. Bonds5

About N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760630) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID110760630
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H14N2O4S/c1-2-3-6-12-18(15,16)8-4-5-10-9(7-8)13-11(14)17-10/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyKBTGAECIDYRYQX-UHFFFAOYSA-N
XLogP1.20
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024908
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122327016

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 110760630) is N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is CCCCNS(=O)(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is KBTGAECIDYRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-3-6-12-18(15,16)8-4-5-10-9(7-8)13-11(14)17-10/h4-5,7,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).