N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide

C16H23NO4S2 — CID 110419004

IUPACN-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S1(=O)CCC(CCCNS(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H23NO4S2/c18-22(19)10-8-13(12-22)3-2-9-17-23(20,21)16-7-6-14-4-1-5-15(14)11-16/h6-7,11,13,17H,1-5,8-10,12H2
InChIKeyAIUUJFLSQYQPCE-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.67
Rot. Bonds6

About N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110419004) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110419004
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S1(=O)CCC(CCCNS(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H23NO4S2/c18-22(19)10-8-13(12-22)3-2-9-17-23(20,21)16-7-6-14-4-1-5-15(14)11-16/h6-7,11,13,17H,1-5,8-10,12H2
InChIKeyAIUUJFLSQYQPCE-UHFFFAOYSA-N
XLogP1.67
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 94008867
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 110603003
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
4-[2-(1,1-dioxothiolan-3-yl)ethylsulfamoyl]benzoic acid
CID 110723028
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 8891900
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 110603011
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110419004) is N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S1(=O)CCC(CCCNS(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is AIUUJFLSQYQPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S2/c18-22(19)10-8-13(12-22)3-2-9-17-23(20,21)16-7-6-14-4-1-5-15(14)11-16/h6-7,11,13,17H,1-5,8-10,12H2.
What are the key properties of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110419004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).