N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C19H22N2O4S2 — CID 655689

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-26(23,20-19-12-7-15-5-1-2-6-18(15)19)16-8-10-17(11-9-16)27(24,25)21-13-3-4-14-21/h1-2,5-6,8-11,19-20H,3-4,7,12-14H2
InChIKeyQCKDFTNUMWCQGS-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.44
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 655689) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID655689
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-26(23,20-19-12-7-15-5-1-2-6-18(15)19)16-8-10-17(11-9-16)27(24,25)21-13-3-4-14-21/h1-2,5-6,8-11,19-20H,3-4,7,12-14H2
InChIKeyQCKDFTNUMWCQGS-UHFFFAOYSA-N
XLogP2.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.44
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-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166907
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
N-(2,3-dihydro-1H-inden-1-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274764
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 655689) is N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NC1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is QCKDFTNUMWCQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-26(23,20-19-12-7-15-5-1-2-6-18(15)19)16-8-10-17(11-9-16)27(24,25)21-13-3-4-14-21/h1-2,5-6,8-11,19-20H,3-4,7,12-14H2.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 655689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).