2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide

C11H14N2O3S — CID 118163764

IUPAC2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
SMILESC1=Cc2ccccc2ON1.C=C(C)S(N)(=O)=O
InChIInChI=1S/C8H7NO.C3H7NO2S/c1-2-4-8-7(3-1)5-6-9-10-8;1-3(2)7(4,5)6/h1-6,9H;1H2,2H3,(H2,4,5,6)
InChIKeyUYXMATAJWITIMN-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.36
Rot. Bonds1

About 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide

2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide (PubChem CID 118163764) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide.

Molecular Properties

Compound Name2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
PubChem CID118163764
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
SMILESC1=Cc2ccccc2ON1.C=C(C)S(N)(=O)=O
InChIInChI=1S/C8H7NO.C3H7NO2S/c1-2-4-8-7(3-1)5-6-9-10-8;1-3(2)7(4,5)6/h1-6,9H;1H2,2H3,(H2,4,5,6)
InChIKeyUYXMATAJWITIMN-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89454286
2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
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CID 67470092
2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,9,12,14,16-octaene
CID 175794563
6-propan-2-yl-2H-1,2-benzoxazine
CID 178028695
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2-methylprop-2-enamide;2-phenylethenesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide?
The IUPAC name of 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide (CID 118163764) is 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide.
What is the SMILES notation for 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide?
The canonical SMILES for 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide is C1=Cc2ccccc2ON1.C=C(C)S(N)(=O)=O.
What is the InChIKey of 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide?
The InChIKey is UYXMATAJWITIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C3H7NO2S/c1-2-4-8-7(3-1)5-6-9-10-8;1-3(2)7(4,5)6/h1-6,9H;1H2,2H3,(H2,4,5,6).
What are the key properties of 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide?
2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide is sourced from PubChem (CID 118163764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).