N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide

C7H10Cl2N4O2S — CID 21324206

IUPACN-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCN(C/C(Cl)=C/Cl)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C7H10Cl2N4O2S/c1-2-13(4-6(9)3-8)16(14,15)7-10-5-11-12-7/h3,5H,2,4H2,1H3,(H,10,11,12)/b6-3-
InChIKeyYYINOBXKOQTVEZ-UTCJRWHESA-N
MW285.16 g/mol
LogP1.13
Rot. Bonds5

About N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide

N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 21324206) has the molecular formula C7H10Cl2N4O2S and a molecular weight of 285.16 g/mol. Its IUPAC name is N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID21324206
Molecular FormulaC7H10Cl2N4O2S
Molecular Weight285.16 g/mol
Exact Mass283.99
IUPAC NameN-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCN(C/C(Cl)=C/Cl)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C7H10Cl2N4O2S/c1-2-13(4-6(9)3-8)16(14,15)7-10-5-11-12-7/h3,5H,2,4H2,1H3,(H,10,11,12)/b6-3-
InChIKeyYYINOBXKOQTVEZ-UTCJRWHESA-N
XLogP1.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide (CID 21324206) is N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide is CCN(C/C(Cl)=C/Cl)S(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is YYINOBXKOQTVEZ-UTCJRWHESA-N. The full InChI is InChI=1S/C7H10Cl2N4O2S/c1-2-13(4-6(9)3-8)16(14,15)7-10-5-11-12-7/h3,5H,2,4H2,1H3,(H,10,11,12)/b6-3-.
What are the key properties of N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 285.16 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dichloroprop-2-enyl]-N-ethyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 21324206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).