6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one

C10H13N3O4S — CID 110608285

IUPAC6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one
SMILESCCNS(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H13N3O4S/c1-3-11-18(15,16)12-7-4-5-8-9(6-7)17-10(14)13(8)2/h4-6,11-12H,3H2,1-2H3
InChIKeyOMEBGIDVXCRRSD-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.40
Rot. Bonds4

About 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one

6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 110608285) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one
PubChem CID110608285
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one
SMILESCCNS(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H13N3O4S/c1-3-11-18(15,16)12-7-4-5-8-9(6-7)17-10(14)13(8)2/h4-6,11-12H,3H2,1-2H3
InChIKeyOMEBGIDVXCRRSD-UHFFFAOYSA-N
XLogP0.40
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
CID 110411265
N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]phenyl]propanamide
CID 46346366
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
CID 110607935
3-methyl-6-(3-sulfanylpropylamino)-1,3-benzoxazol-2-one
CID 115224646
3-methyl-6-[3-(methylamino)propylamino]-1,3-benzoxazol-2-one
CID 115197727
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one (CID 110608285) is 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one is CCNS(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is OMEBGIDVXCRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-3-11-18(15,16)12-7-4-5-8-9(6-7)17-10(14)13(8)2/h4-6,11-12H,3H2,1-2H3.
What are the key properties of 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one?
6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 271.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 110608285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).