N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide

C17H18ClFN2O2S — CID 154746285

IUPACN-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNC1CCc2cc(F)c(Cl)cc21)c1ccccc1
InChIInChI=1S/C17H18ClFN2O2S/c18-15-11-14-12(10-16(15)19)6-7-17(14)20-8-9-21-24(22,23)13-4-2-1-3-5-13/h1-5,10-11,17,20-21H,6-9H2
InChIKeyREPUEBRUUNLSJN-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.03
Rot. Bonds6

About N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide

N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide (PubChem CID 154746285) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
PubChem CID154746285
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC NameN-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNC1CCc2cc(F)c(Cl)cc21)c1ccccc1
InChIInChI=1S/C17H18ClFN2O2S/c18-15-11-14-12(10-16(15)19)6-7-17(14)20-8-9-21-24(22,23)13-4-2-1-3-5-13/h1-5,10-11,17,20-21H,6-9H2
InChIKeyREPUEBRUUNLSJN-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide (CID 154746285) is N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNC1CCc2cc(F)c(Cl)cc21)c1ccccc1.
What is the InChIKey of N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is REPUEBRUUNLSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c18-15-11-14-12(10-16(15)19)6-7-17(14)20-8-9-21-24(22,23)13-4-2-1-3-5-13/h1-5,10-11,17,20-21H,6-9H2.
What are the key properties of N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 368.86 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 154746285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).