5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one

C9H11N3O4S — CID 110607935

IUPAC5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
SMILESCCNS(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O4S/c1-2-10-17(14,15)12-6-3-4-8-7(5-6)11-9(13)16-8/h3-5,10,12H,2H2,1H3,(H,11,13)
InChIKeyWHTUQFZLLAKMEX-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.39
Rot. Bonds4

About 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one

5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 110607935) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
PubChem CID110607935
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
SMILESCCNS(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O4S/c1-2-10-17(14,15)12-6-3-4-8-7(5-6)11-9(13)16-8/h3-5,10,12H,2H2,1H3,(H,11,13)
InChIKeyWHTUQFZLLAKMEX-UHFFFAOYSA-N
XLogP0.39
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
CID 37155913
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 55121279
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
CID 61051650

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one (CID 110607935) is 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one is CCNS(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is WHTUQFZLLAKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-2-10-17(14,15)12-6-3-4-8-7(5-6)11-9(13)16-8/h3-5,10,12H,2H2,1H3,(H,11,13).
What are the key properties of 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one?
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 257.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110607935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).