N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide

C13H18N4O2S — CID 106386990

IUPACN-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILES[N-]=[N+]=NCCCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N4O2S/c14-17-15-8-1-2-9-16-20(18,19)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,16H,1-5,8-9H2
InChIKeyZASHJCXGRJUHCN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.54
Rot. Bonds7

About N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 106386990) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID106386990
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILES[N-]=[N+]=NCCCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N4O2S/c14-17-15-8-1-2-9-16-20(18,19)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,16H,1-5,8-9H2
InChIKeyZASHJCXGRJUHCN-UHFFFAOYSA-N
XLogP2.54
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-azidopropylsulfonyl)-2,3-dihydro-1H-indene
CID 61397011
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
N-(4-azidobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 106387073
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953193
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 106386990) is N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide is [N-]=[N+]=NCCCCNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is ZASHJCXGRJUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c14-17-15-8-1-2-9-16-20(18,19)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,16H,1-5,8-9H2.
What are the key properties of N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 106386990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).