9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid

C15H13NO5S — CID 175249700

IUPAC9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid
SMILESCOC(=O)NC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C15H13NO5S/c1-21-15(17)16-14-12-5-3-2-4-10(12)11-7-6-9(8-13(11)14)22(18,19)20/h2-8,14H,1H3,(H,16,17)(H,18,19,20)
InChIKeyGLTCMYGLQYAKGT-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.36
Rot. Bonds2

About 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid

9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid (PubChem CID 175249700) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid.

Molecular Properties

Compound Name9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid
PubChem CID175249700
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid
SMILESCOC(=O)NC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C15H13NO5S/c1-21-15(17)16-14-12-5-3-2-4-10(12)11-7-6-9(8-13(11)14)22(18,19)20/h2-8,14H,1H3,(H,16,17)(H,18,19,20)
InChIKeyGLTCMYGLQYAKGT-UHFFFAOYSA-N
XLogP2.36
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid 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

9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid
CID 18680044
methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate
CID 87287953
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
CID 141007243
9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid
CID 87313884
9,10-dioxoanthracene-2-sulfonic acid;hydrate
CID 87345179
(2S,3S)-2-[(2,7-disulfo-9H-fluoren-9-yl)methoxycarbonylamino]-3-methylpentanoic acid
CID 172994769
9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)methyl]-9H-fluorene-2-sulfonic acid
CID 87698831
N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate
CID 23151725
3-[4,5-bis(methoxycarbonyl)-1-phenylpyrazol-3-yl]-4-hydroxybenzenesulfonic acid
CID 169389643
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid?
The IUPAC name of 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid (CID 175249700) is 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid.
What is the SMILES notation for 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid?
The canonical SMILES for 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid is COC(=O)NC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21.
What is the InChIKey of 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid?
The InChIKey is GLTCMYGLQYAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c1-21-15(17)16-14-12-5-3-2-4-10(12)11-7-6-9(8-13(11)14)22(18,19)20/h2-8,14H,1H3,(H,16,17)(H,18,19,20).
What are the key properties of 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid?
9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid has a molecular weight of 319.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid is sourced from PubChem (CID 175249700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).