2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide

C14H18BrClN2O3S — CID 8713337

IUPAC2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CCCCC1
InChIInChI=1S/C14H18BrClN2O3S/c15-10-6-7-13(12(16)8-10)22(20,21)17-9-14(19)18-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9H2,(H,18,19)
InChIKeyVIPXSQHOPNNEEU-UHFFFAOYSA-N
MW409.73 g/mol
LogP2.83
Rot. Bonds5

About 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide (PubChem CID 8713337) has the molecular formula C14H18BrClN2O3S and a molecular weight of 409.73 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide
PubChem CID8713337
Molecular FormulaC14H18BrClN2O3S
Molecular Weight409.73 g/mol
Exact Mass407.99
IUPAC Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CCCCC1
InChIInChI=1S/C14H18BrClN2O3S/c15-10-6-7-13(12(16)8-10)22(20,21)17-9-14(19)18-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9H2,(H,18,19)
InChIKeyVIPXSQHOPNNEEU-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.73
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide (CID 8713337) is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CCCCC1.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide?
The InChIKey is VIPXSQHOPNNEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O3S/c15-10-6-7-13(12(16)8-10)22(20,21)17-9-14(19)18-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9H2,(H,18,19).
What are the key properties of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide?
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide has a molecular weight of 409.73 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 8713337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).