9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate

C17H16N4O4S — CID 86042560

IUPAC9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate
SMILES[N-]=[N+]=NS(=O)(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16N4O4S/c18-20-21-26(23,24)10-9-19-17(22)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)
InChIKeyLKKLTYSPZGNHRZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.17
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate

9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate (PubChem CID 86042560) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate
PubChem CID86042560
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate
SMILES[N-]=[N+]=NS(=O)(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16N4O4S/c18-20-21-26(23,24)10-9-19-17(22)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)
InChIKeyLKKLTYSPZGNHRZ-UHFFFAOYSA-N
XLogP3.17
TPSA121.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75409974
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
N,N-diethylethanamine;3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonic acid
CID 21271314
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate (CID 86042560) is 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate is [N-]=[N+]=NS(=O)(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate?
The InChIKey is LKKLTYSPZGNHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c18-20-21-26(23,24)10-9-19-17(22)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate has a molecular weight of 372.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-azidosulfonylethyl)carbamate is sourced from PubChem (CID 86042560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).