N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide

C11H13ClN4O2S — CID 79372959

IUPACN-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C11H13ClN4O2S/c1-2-16-6-11(14-7-16)19(17,18)15-8-3-4-10(13)9(12)5-8/h3-7,15H,2,13H2,1H3
InChIKeyJOAUGXWXAZDLBN-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.94
Rot. Bonds4

About N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide

N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79372959) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
PubChem CID79372959
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C11H13ClN4O2S/c1-2-16-6-11(14-7-16)19(17,18)15-8-3-4-10(13)9(12)5-8/h3-7,15H,2,13H2,1H3
InChIKeyJOAUGXWXAZDLBN-UHFFFAOYSA-N
XLogP1.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide (CID 79372959) is N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is JOAUGXWXAZDLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-2-16-6-11(14-7-16)19(17,18)15-8-3-4-10(13)9(12)5-8/h3-7,15H,2,13H2,1H3.
What are the key properties of N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide?
N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79372959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).