4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide

C18H21FN2O2S — CID 75382589

IUPAC4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
SMILESCC1Cc2ccc(F)cc2C1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O2S/c1-12-10-14-4-5-15(19)11-17(14)18(12)21-9-8-13-2-6-16(7-3-13)24(20,22)23/h2-7,11-12,18,21H,8-10H2,1H3,(H2,20,22,23)
InChIKeyWLYNZSZJPHAIHZ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide

4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide (PubChem CID 75382589) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
PubChem CID75382589
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
SMILESCC1Cc2ccc(F)cc2C1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O2S/c1-12-10-14-4-5-15(19)11-17(14)18(12)21-9-8-13-2-6-16(7-3-13)24(20,22)23/h2-7,11-12,18,21H,8-10H2,1H3,(H2,20,22,23)
InChIKeyWLYNZSZJPHAIHZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide (CID 75382589) is 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide is CC1Cc2ccc(F)cc2C1NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is WLYNZSZJPHAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-12-10-14-4-5-15(19)11-17(14)18(12)21-9-8-13-2-6-16(7-3-13)24(20,22)23/h2-7,11-12,18,21H,8-10H2,1H3,(H2,20,22,23).
What are the key properties of 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 348.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 75382589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).