3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide

C20H23FN2O4S — CID 86951089

IUPAC3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2CCc3c(O)cccc32)ccc1F
InChIInChI=1S/C20H23FN2O4S/c1-20(2,3)23-28(26,27)18-11-12(7-9-15(18)21)19(25)22-16-10-8-14-13(16)5-4-6-17(14)24/h4-7,9,11,16,23-24H,8,10H2,1-3H3,(H,22,25)
InChIKeyINNGDNGNKCPNBH-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.03
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide

3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 86951089) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID86951089
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2CCc3c(O)cccc32)ccc1F
InChIInChI=1S/C20H23FN2O4S/c1-20(2,3)23-28(26,27)18-11-12(7-9-15(18)21)19(25)22-16-10-8-14-13(16)5-4-6-17(14)24/h4-7,9,11,16,23-24H,8,10H2,1-3H3,(H,22,25)
InChIKeyINNGDNGNKCPNBH-UHFFFAOYSA-N
XLogP3.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86949752
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55581388
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 126786285
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 86886993
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517026
4-fluoro-3-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450774
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (CID 86951089) is 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2CCc3c(O)cccc32)ccc1F.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is INNGDNGNKCPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-20(2,3)23-28(26,27)18-11-12(7-9-15(18)21)19(25)22-16-10-8-14-13(16)5-4-6-17(14)24/h4-7,9,11,16,23-24H,8,10H2,1-3H3,(H,22,25).
What are the key properties of 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 86951089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).