2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

C18H18BrNO2S — CID 55860528

IUPAC2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C18H18BrNO2S/c19-16-7-3-4-8-18(16)23(21,22)20(14-10-11-14)17-12-9-13-5-1-2-6-15(13)17/h1-8,14,17H,9-12H2
InChIKeyLYQHJQWNPKLIAO-UHFFFAOYSA-N
MW392.32 g/mol
LogP4.29
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (PubChem CID 55860528) has the molecular formula C18H18BrNO2S and a molecular weight of 392.32 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
PubChem CID55860528
Molecular FormulaC18H18BrNO2S
Molecular Weight392.32 g/mol
Exact Mass391.02
IUPAC Name2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C18H18BrNO2S/c19-16-7-3-4-8-18(16)23(21,22)20(14-10-11-14)17-12-9-13-5-1-2-6-15(13)17/h1-8,14,17H,9-12H2
InChIKeyLYQHJQWNPKLIAO-UHFFFAOYSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide
CID 97017077
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 51965811
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 51965812
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
CID 43577802
N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 56825683
4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 52505558
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87131302
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
2-bromo-N-cyclohexyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 55906746
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 126793268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (CID 55860528) is 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is O=S(=O)(c1ccccc1Br)N(C1CC1)C1CCc2ccccc21.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is LYQHJQWNPKLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2S/c19-16-7-3-4-8-18(16)23(21,22)20(14-10-11-14)17-12-9-13-5-1-2-6-15(13)17/h1-8,14,17H,9-12H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide has a molecular weight of 392.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 55860528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).