N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide

C15H22BrNO2S — CID 107158218

IUPACN-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22BrNO2S/c1-11(2)8-14(16)10-17-20(18,19)15-7-6-12-4-3-5-13(12)9-15/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3
InChIKeyJAWYVFZQBNFLLO-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.26
Rot. Bonds6

About N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 107158218) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID107158218
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22BrNO2S/c1-11(2)8-14(16)10-17-20(18,19)15-7-6-12-4-3-5-13(12)9-15/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3
InChIKeyJAWYVFZQBNFLLO-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
methyl 2-bromo-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493750
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65031254
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 107158218) is N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide is CC(C)CC(Br)CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is JAWYVFZQBNFLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-11(2)8-14(16)10-17-20(18,19)15-7-6-12-4-3-5-13(12)9-15/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 107158218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).