3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide

C18H18FNO3S — CID 97248736

IUPAC3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(F)cccc32)c1
InChIInChI=1S/C18H18FNO3S/c1-2-24(22,23)13-6-3-5-12(11-13)18(21)20-17-10-9-14-15(17)7-4-8-16(14)19/h3-8,11,17H,2,9-10H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyKOVGPTSTZBBQQM-KRWDZBQOSA-N
MW347.41 g/mol
LogP3.04
Rot. Bonds4

About 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide

3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 97248736) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID97248736
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(F)cccc32)c1
InChIInChI=1S/C18H18FNO3S/c1-2-24(22,23)13-6-3-5-12(11-13)18(21)20-17-10-9-14-15(17)7-4-8-16(14)19/h3-8,11,17H,2,9-10H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyKOVGPTSTZBBQQM-KRWDZBQOSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17477542
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 79489715
2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97101391
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 96529997
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 86951089
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 86963003

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 97248736) is 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide is CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(F)cccc32)c1.
What is the InChIKey of 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is KOVGPTSTZBBQQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-2-24(22,23)13-6-3-5-12(11-13)18(21)20-17-10-9-14-15(17)7-4-8-16(14)19/h3-8,11,17H,2,9-10H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 347.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 97248736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).