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

C15H21BrN2O3S — CID 1255316

IUPAC2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide
SMILESCCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-2-18(11-15(19)17-13-5-3-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyZUYRPCQWAARGOF-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.52
Rot. Bonds6

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

2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide (PubChem CID 1255316) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide
PubChem CID1255316
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide
SMILESCCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-2-18(11-15(19)17-13-5-3-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyZUYRPCQWAARGOF-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.52
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-cyclopentylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide (CID 1255316) is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide is CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide?
The InChIKey is ZUYRPCQWAARGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-2-18(11-15(19)17-13-5-3-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide?
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclopentylacetamide has a molecular weight of 389.32 g/mol, XLogP of 2.52, 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-cyclopentylacetamide is sourced from PubChem (CID 1255316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).