N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide

C15H13BrClNO2S — CID 114297807

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2S/c16-14-9-10-3-1-2-4-13(10)15(14)18-21(19,20)12-7-5-11(17)6-8-12/h1-8,14-15,18H,9H2
InChIKeyAZJIDLLRHMHMPH-UHFFFAOYSA-N
MW386.70 g/mol
LogP3.68
Rot. Bonds3

About N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide (PubChem CID 114297807) has the molecular formula C15H13BrClNO2S and a molecular weight of 386.70 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
PubChem CID114297807
Molecular FormulaC15H13BrClNO2S
Molecular Weight386.70 g/mol
Exact Mass384.95
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2S/c16-14-9-10-3-1-2-4-13(10)15(14)18-21(19,20)12-7-5-11(17)6-8-12/h1-8,14-15,18H,9H2
InChIKeyAZJIDLLRHMHMPH-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 53.68
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-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide
CID 114297947
4-chloro-N-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzenesulfonamide
CID 20715221
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide
CID 65032748
N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
CID 134984055
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-1H-imidazole-5-sulfonamide
CID 114297922
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
CID 822361
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 114297933
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 65032345

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide (CID 114297807) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide is O=S(=O)(NC1c2ccccc2CC1Br)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
The InChIKey is AZJIDLLRHMHMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2S/c16-14-9-10-3-1-2-4-13(10)15(14)18-21(19,20)12-7-5-11(17)6-8-12/h1-8,14-15,18H,9H2.
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide has a molecular weight of 386.70 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 114297807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).