cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide

C13H15BrN2O3S — CID 154763032

IUPACcis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1C[C@H]1C1CCC1
InChIInChI=1S/C13H15BrN2O3S/c14-9-4-5-12(15-7-9)20(18,19)16-13(17)11-6-10(11)8-2-1-3-8/h4-5,7-8,10-11H,1-3,6H2,(H,16,17)/t10-,11+/m0/s1
InChIKeyJMBKAEXCLUFYGM-WDEREUQCSA-N
MW359.25 g/mol
LogP2.09
Rot. Bonds4

About cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide (PubChem CID 154763032) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
PubChem CID154763032
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Namecis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1C[C@H]1C1CCC1
InChIInChI=1S/C13H15BrN2O3S/c14-9-4-5-12(15-7-9)20(18,19)16-13(17)11-6-10(11)8-2-1-3-8/h4-5,7-8,10-11H,1-3,6H2,(H,16,17)/t10-,11+/m0/s1
InChIKeyJMBKAEXCLUFYGM-WDEREUQCSA-N
XLogP2.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875
(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 100633749
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708524
ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate
CID 118092805
(2S)-2-cyclopentyl-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 142922852
(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide
CID 167748130
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
CID 150675876
N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 138593525
5-bromopyridine-2-sulfonyl chloride;hydrochloride
CID 46738887
(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 154846144
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide (CID 154763032) is cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1C[C@H]1C1CCC1.
What is the InChIKey of cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide?
The InChIKey is JMBKAEXCLUFYGM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c14-9-4-5-12(15-7-9)20(18,19)16-13(17)11-6-10(11)8-2-1-3-8/h4-5,7-8,10-11H,1-3,6H2,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide has a molecular weight of 359.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide is sourced from PubChem (CID 154763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).