N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide

C12H11ClN4O2S — CID 103791860

IUPACN-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C12H11ClN4O2S/c1-2-17-7-12(15-8-17)20(18,19)16-11-4-3-9(6-14)5-10(11)13/h3-5,7-8,16H,2H2,1H3
InChIKeyLOVWRXKHVYPWNZ-UHFFFAOYSA-N
MW310.77 g/mol
LogP2.23
Rot. Bonds4

About N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide

N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 103791860) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
PubChem CID103791860
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC NameN-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C12H11ClN4O2S/c1-2-17-7-12(15-8-17)20(18,19)16-11-4-3-9(6-14)5-10(11)13/h3-5,7-8,16H,2H2,1H3
InChIKeyLOVWRXKHVYPWNZ-UHFFFAOYSA-N
XLogP2.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide (CID 103791860) is N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is LOVWRXKHVYPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-2-17-7-12(15-8-17)20(18,19)16-11-4-3-9(6-14)5-10(11)13/h3-5,7-8,16H,2H2,1H3.
What are the key properties of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 310.77 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 103791860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).