N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide

C12H14BrNO3S — CID 138020430

IUPACN-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
SMILESO=C(NCCS(=O)(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrNO3S/c13-10-2-1-3-11(8-10)18(16,17)7-6-14-12(15)9-4-5-9/h1-3,8-9H,4-7H2,(H,14,15)
InChIKeyZGHVOPJJGOXJSH-UHFFFAOYSA-N
MW332.22 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide

N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide (PubChem CID 138020430) has the molecular formula C12H14BrNO3S and a molecular weight of 332.22 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
PubChem CID138020430
Molecular FormulaC12H14BrNO3S
Molecular Weight332.22 g/mol
Exact Mass330.99
IUPAC NameN-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
SMILESO=C(NCCS(=O)(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrNO3S/c13-10-2-1-3-11(8-10)18(16,17)7-6-14-12(15)9-4-5-9/h1-3,8-9H,4-7H2,(H,14,15)
InChIKeyZGHVOPJJGOXJSH-UHFFFAOYSA-N
XLogP1.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]cyclopentanecarboxamide
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CID 55634596
N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675828
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
2-[2-(3-bromophenyl)sulfonylethyl]-1,3-dioxane
CID 66473772
2-[2-(3-bromophenyl)sulfonylethyl-cyclopropylamino]propanoic acid
CID 122100520
N-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]cyclopropanecarboxamide
CID 115596586
4-[(3-bromophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783652
4-[2-(3-bromophenyl)sulfonylethyl]piperidine
CID 57195394
2-(3-bromophenyl)sulfonyl-1-(oxolan-3-yl)ethanone
CID 104756164

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide (CID 138020430) is N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide is O=C(NCCS(=O)(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide?
The InChIKey is ZGHVOPJJGOXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3S/c13-10-2-1-3-11(8-10)18(16,17)7-6-14-12(15)9-4-5-9/h1-3,8-9H,4-7H2,(H,14,15).
What are the key properties of N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide?
N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide has a molecular weight of 332.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 138020430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).