N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C24H27FN2O3S — CID 55864478

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C24H27FN2O3S/c25-21-12-8-18(16-23(21)31(29,30)26-14-4-1-5-15-26)24(28)27(19-10-11-19)22-13-9-17-6-2-3-7-20(17)22/h2-3,6-8,12,16,19,22H,1,4-5,9-11,13-15H2
InChIKeyIRVFPAUONCGFFW-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.29
Rot. Bonds5

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55864478) has the molecular formula C24H27FN2O3S and a molecular weight of 442.56 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55864478
Molecular FormulaC24H27FN2O3S
Molecular Weight442.56 g/mol
Exact Mass442.17
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C24H27FN2O3S/c25-21-12-8-18(16-23(21)31(29,30)26-14-4-1-5-15-26)24(28)27(19-10-11-19)22-13-9-17-6-2-3-7-20(17)22/h2-3,6-8,12,16,19,22H,1,4-5,9-11,13-15H2
InChIKeyIRVFPAUONCGFFW-UHFFFAOYSA-N
XLogP4.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55864858
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55864986
4-fluoro-3-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450774
N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55624988
4-fluoro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2380936
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzamide;hydrochloride
CID 119742632
N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
CID 55864349
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 16529048
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94812762
4-(cyclopropanecarbonylamino)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 71885135
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 55864478) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N(C1CC1)C1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IRVFPAUONCGFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3S/c25-21-12-8-18(16-23(21)31(29,30)26-14-4-1-5-15-26)24(28)27(19-10-11-19)22-13-9-17-6-2-3-7-20(17)22/h2-3,6-8,12,16,19,22H,1,4-5,9-11,13-15H2.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 442.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55864478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).