[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide

C11H13N2O5S2- — CID 101364771

IUPAC[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
SMILESC=C(C)C(=O)Nc1ccc(S(=O)(=O)[N-]S(C)(=O)=O)cc1
InChIInChI=1S/C11H13N2O5S2/c1-8(2)11(14)12-9-4-6-10(7-5-9)20(17,18)13-19(3,15)16/h4-7H,1H2,2-3H3,(H,12,14)/q-1
InChIKeyLZUJLJJLKPYPKE-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.22
Rot. Bonds5

About [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide

[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide (PubChem CID 101364771) has the molecular formula C11H13N2O5S2- and a molecular weight of 317.37 g/mol. Its IUPAC name is [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide.

Molecular Properties

Compound Name[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
PubChem CID101364771
Molecular FormulaC11H13N2O5S2-
Molecular Weight317.37 g/mol
Exact Mass317.03
IUPAC Name[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
SMILESC=C(C)C(=O)Nc1ccc(S(=O)(=O)[N-]S(C)(=O)=O)cc1
InChIInChI=1S/C11H13N2O5S2/c1-8(2)11(14)12-9-4-6-10(7-5-9)20(17,18)13-19(3,15)16/h4-7H,1H2,2-3H3,(H,12,14)/q-1
InChIKeyLZUJLJJLKPYPKE-UHFFFAOYSA-N
XLogP1.22
TPSA111.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
4-(2-methylprop-2-enoylamino)benzenesulfonic acid;prop-1-ene
CID 174843507
2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 67951859
N-(4-ethylsulfanylsulfonylphenyl)-2-methylprop-2-enamide
CID 3633698
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
CID 142912025
N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
CID 172831017
tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
CID 172860369
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
[4-(2-methylprop-2-enoylamino)phenoxy]boronic acid
CID 139688693
(E)-3-cyano-3-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 144781323

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide?
The IUPAC name of [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide (CID 101364771) is [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide.
What is the SMILES notation for [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide?
The canonical SMILES for [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide is C=C(C)C(=O)Nc1ccc(S(=O)(=O)[N-]S(C)(=O)=O)cc1.
What is the InChIKey of [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide?
The InChIKey is LZUJLJJLKPYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O5S2/c1-8(2)11(14)12-9-4-6-10(7-5-9)20(17,18)13-19(3,15)16/h4-7H,1H2,2-3H3,(H,12,14)/q-1.
What are the key properties of [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide?
[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide has a molecular weight of 317.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide is sourced from PubChem (CID 101364771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).