(Z)-but-2-enedioic acid;ethanesulfonamide

C6H11NO6S — CID 174568618

IUPAC(Z)-but-2-enedioic acid;ethanesulfonamide
SMILESCCS(N)(=O)=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C2H7NO2S/c5-3(6)1-2-4(7)8;1-2-6(3,4)5/h1-2H,(H,5,6)(H,7,8);2H2,1H3,(H2,3,4,5)/b2-1-;
InChIKeyOBALWKWTKDGWOL-ODZAUARKSA-N
MW225.22 g/mol
LogP-0.99
Rot. Bonds3

About (Z)-but-2-enedioic acid;ethanesulfonamide

(Z)-but-2-enedioic acid;ethanesulfonamide (PubChem CID 174568618) has the molecular formula C6H11NO6S and a molecular weight of 225.22 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;ethanesulfonamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;ethanesulfonamide
PubChem CID174568618
Molecular FormulaC6H11NO6S
Molecular Weight225.22 g/mol
Exact Mass225.03
IUPAC Name(Z)-but-2-enedioic acid;ethanesulfonamide
SMILESCCS(N)(=O)=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C2H7NO2S/c5-3(6)1-2-4(7)8;1-2-6(3,4)5/h1-2H,(H,5,6)(H,7,8);2H2,1H3,(H2,3,4,5)/b2-1-;
InChIKeyOBALWKWTKDGWOL-ODZAUARKSA-N
XLogP-0.99
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-but-2-enedioic acid;ethanamine
CID 173189224
4-sulfamoylbut-2-enoic acid
CID 173211865
(Z)-4-(ethylsulfonylamino)-4-oxobut-2-enoic acid
CID 138490263
(Z)-but-2-enedioic acid;propanoic acid
CID 88602405
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133
but-2-enedioic acid;undecane
CID 157202832
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
bis(butan-1-amine);(E)-but-2-enedioic acid
CID 173276873
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
butan-1-amine;(Z)-but-2-enedioic acid
CID 173351096
azane;bis((E)-but-2-enedioic acid)
CID 87996706

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;ethanesulfonamide?
The IUPAC name of (Z)-but-2-enedioic acid;ethanesulfonamide (CID 174568618) is (Z)-but-2-enedioic acid;ethanesulfonamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;ethanesulfonamide?
The canonical SMILES for (Z)-but-2-enedioic acid;ethanesulfonamide is CCS(N)(=O)=O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;ethanesulfonamide?
The InChIKey is OBALWKWTKDGWOL-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C2H7NO2S/c5-3(6)1-2-4(7)8;1-2-6(3,4)5/h1-2H,(H,5,6)(H,7,8);2H2,1H3,(H2,3,4,5)/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;ethanesulfonamide?
(Z)-but-2-enedioic acid;ethanesulfonamide has a molecular weight of 225.22 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;ethanesulfonamide is sourced from PubChem (CID 174568618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).