4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide

C12H14BrNO3S — CID 134362315

IUPAC4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC2=O)ccc1Br
InChIInChI=1S/C12H14BrNO3S/c1-8-7-9(5-6-10(8)13)18(16,17)14-11-3-2-4-12(11)15/h5-7,11,14H,2-4H2,1H3
InChIKeyAPNGOWXKYDSLMP-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.16
Rot. Bonds3

About 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide

4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide (PubChem CID 134362315) has the molecular formula C12H14BrNO3S and a molecular weight of 332.22 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide
PubChem CID134362315
Molecular FormulaC12H14BrNO3S
Molecular Weight332.22 g/mol
Exact Mass330.99
IUPAC Name4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC2=O)ccc1Br
InChIInChI=1S/C12H14BrNO3S/c1-8-7-9(5-6-10(8)13)18(16,17)14-11-3-2-4-12(11)15/h5-7,11,14H,2-4H2,1H3
InChIKeyAPNGOWXKYDSLMP-UHFFFAOYSA-N
XLogP2.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
CID 60734219
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
4-bromo-N-(1,1-dioxothian-3-yl)-3-methylbenzenesulfonamide
CID 63924383
4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide
CID 134362277
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-bromo-3-methylbenzenesulfonamide
CID 66196908
3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
CID 56731325
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide (CID 134362315) is 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCC2=O)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide?
The InChIKey is APNGOWXKYDSLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3S/c1-8-7-9(5-6-10(8)13)18(16,17)14-11-3-2-4-12(11)15/h5-7,11,14H,2-4H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide?
4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide has a molecular weight of 332.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 134362315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).