N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide

C22H26N2O4S — CID 71782174

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(23-16-22(26)13-12-17-6-2-3-7-20(17)22)18-8-10-19(11-9-18)29(27,28)24-14-4-1-5-15-24/h2-3,6-11,26H,1,4-5,12-16H2,(H,23,25)
InChIKeyRCPPEBUGMZPOQF-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.42
Rot. Bonds5

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 71782174) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID71782174
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(23-16-22(26)13-12-17-6-2-3-7-20(17)22)18-8-10-19(11-9-18)29(27,28)24-14-4-1-5-15-24/h2-3,6-11,26H,1,4-5,12-16H2,(H,23,25)
InChIKeyRCPPEBUGMZPOQF-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 71782174) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(NCC1(O)CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RCPPEBUGMZPOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-21(23-16-22(26)13-12-17-6-2-3-7-20(17)22)18-8-10-19(11-9-18)29(27,28)24-14-4-1-5-15-24/h2-3,6-11,26H,1,4-5,12-16H2,(H,23,25).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 414.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 71782174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).