N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

C20H24N2O4S2 — CID 1166907

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c23-27(24,21-20-13-8-16-6-2-3-7-19(16)20)17-9-11-18(12-10-17)28(25,26)22-14-4-1-5-15-22/h2-3,6-7,9-12,20-21H,1,4-5,8,13-15H2/t20-/m0/s1
InChIKeyYPVWOAPCRRMJPI-FQEVSTJZSA-N
MW420.56 g/mol
LogP2.83
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 1166907) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID1166907
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c23-27(24,21-20-13-8-16-6-2-3-7-19(16)20)17-9-11-18(12-10-17)28(25,26)22-14-4-1-5-15-22/h2-3,6-7,9-12,20-21H,1,4-5,8,13-15H2/t20-/m0/s1
InChIKeyYPVWOAPCRRMJPI-FQEVSTJZSA-N
XLogP2.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166905
N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 655689
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 1167006
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-(2,3-dihydro-1H-inden-1-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274764
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 1166907) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(N[C@H]1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is YPVWOAPCRRMJPI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c23-27(24,21-20-13-8-16-6-2-3-7-19(16)20)17-9-11-18(12-10-17)28(25,26)22-14-4-1-5-15-22/h2-3,6-7,9-12,20-21H,1,4-5,8,13-15H2/t20-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 420.56 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 1166907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).