N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide

C15H13ClN4O2S — CID 134984055

IUPACN-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
SMILES[N-]=[N+]=N[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-11-5-7-12(8-6-11)23(21,22)19-14-9-10-3-1-2-4-13(10)15(14)18-20-17/h1-8,14-15,19H,9H2/t14-,15-/m0/s1
InChIKeySPMZOCJLDADNGG-GJZGRUSLSA-N
MW348.82 g/mol
LogP3.59
Rot. Bonds4

About N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide

N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide (PubChem CID 134984055) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
PubChem CID134984055
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
SMILES[N-]=[N+]=N[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-11-5-7-12(8-6-11)23(21,22)19-14-9-10-3-1-2-4-13(10)15(14)18-20-17/h1-8,14-15,19H,9H2/t14-,15-/m0/s1
InChIKeySPMZOCJLDADNGG-GJZGRUSLSA-N
XLogP3.59
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 114297807
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
4-chloro-N-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzenesulfonamide
CID 20715221
(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
CID 822361
N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 98940798
N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 32741505
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide
CID 65032748
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 8025258
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl]-dimethylazanium
CID 7324622

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide (CID 134984055) is N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide is [N-]=[N+]=N[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide?
The InChIKey is SPMZOCJLDADNGG-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-11-5-7-12(8-6-11)23(21,22)19-14-9-10-3-1-2-4-13(10)15(14)18-20-17/h1-8,14-15,19H,9H2/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide?
N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 134984055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).