N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C12H14Br2N4O2S — CID 62064056

IUPACN-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(Br)cc(N)cc2Br)nc1C
InChIInChI=1S/C12H14Br2N4O2S/c1-3-18-6-11(16-7(18)2)21(19,20)17-12-9(13)4-8(15)5-10(12)14/h4-6,17H,3,15H2,1-2H3
InChIKeyPAXOVLVSQPANBQ-UHFFFAOYSA-N
MW438.15 g/mol
LogP3.12
Rot. Bonds4

About N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 62064056) has the molecular formula C12H14Br2N4O2S and a molecular weight of 438.15 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID62064056
Molecular FormulaC12H14Br2N4O2S
Molecular Weight438.15 g/mol
Exact Mass435.92
IUPAC NameN-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(Br)cc(N)cc2Br)nc1C
InChIInChI=1S/C12H14Br2N4O2S/c1-3-18-6-11(16-7(18)2)21(19,20)17-12-9(13)4-8(15)5-10(12)14/h4-6,17H,3,15H2,1-2H3
InChIKeyPAXOVLVSQPANBQ-UHFFFAOYSA-N
XLogP3.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.15
LogP ≤ 53.12
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-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 62064056) is N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(Br)cc(N)cc2Br)nc1C.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is PAXOVLVSQPANBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4O2S/c1-3-18-6-11(16-7(18)2)21(19,20)17-12-9(13)4-8(15)5-10(12)14/h4-6,17H,3,15H2,1-2H3.
What are the key properties of N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 438.15 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62064056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).