2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide

C16H23BrN2O3S — CID 2234337

IUPAC2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O3S/c1-2-19(12-16(20)18-14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyXRWKXNSDTADPTQ-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.91
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide

2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide (PubChem CID 2234337) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
PubChem CID2234337
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O3S/c1-2-19(12-16(20)18-14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyXRWKXNSDTADPTQ-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide (CID 2234337) is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide is CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The InChIKey is XRWKXNSDTADPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-2-19(12-16(20)18-14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide has a molecular weight of 403.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 2234337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).