2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C21H24N2O4S — CID 8843752

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24N2O4S/c24-21(22-14-17-7-4-12-27-17)19-8-1-2-9-20(19)23-28(25,26)18-11-10-15-5-3-6-16(15)13-18/h1-2,8-11,13,17,23H,3-7,12,14H2,(H,22,24)/t17-/m0/s1
InChIKeyUMJKHJJAIGYRGJ-KRWDZBQOSA-N
MW400.50 g/mol
LogP2.88
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 8843752) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID8843752
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24N2O4S/c24-21(22-14-17-7-4-12-27-17)19-8-1-2-9-20(19)23-28(25,26)18-11-10-15-5-3-6-16(15)13-18/h1-2,8-11,13,17,23H,3-7,12,14H2,(H,22,24)/t17-/m0/s1
InChIKeyUMJKHJJAIGYRGJ-KRWDZBQOSA-N
XLogP2.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843753
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43917168
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 8843752) is 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is UMJKHJJAIGYRGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-21(22-14-17-7-4-12-27-17)19-8-1-2-9-20(19)23-28(25,26)18-11-10-15-5-3-6-16(15)13-18/h1-2,8-11,13,17,23H,3-7,12,14H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 8843752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).