4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide

C9H14BrN3O2S — CID 165498386

IUPAC4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(C2CCCCC2)nc1Br
InChIInChI=1S/C9H14BrN3O2S/c10-7-9(16(11,14)15)13-8(12-7)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)(H2,11,14,15)
InChIKeyLKFALDOBRVLDAI-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.87
Rot. Bonds2

About 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide

4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide (PubChem CID 165498386) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide
PubChem CID165498386
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(C2CCCCC2)nc1Br
InChIInChI=1S/C9H14BrN3O2S/c10-7-9(16(11,14)15)13-8(12-7)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)(H2,11,14,15)
InChIKeyLKFALDOBRVLDAI-UHFFFAOYSA-N
XLogP1.87
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide?
The IUPAC name of 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide (CID 165498386) is 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide is NS(=O)(=O)c1[nH]c(C2CCCCC2)nc1Br.
What is the InChIKey of 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide?
The InChIKey is LKFALDOBRVLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c10-7-9(16(11,14)15)13-8(12-7)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)(H2,11,14,15).
What are the key properties of 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide?
4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohexyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 165498386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).