4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid

C23H18N2O7S — CID 134510783

IUPAC4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid
SMILESO=C(CNC(=O)OC1c2ccccc2-c2ccccc21)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H18N2O7S/c26-20(25-33(30,31)15-11-9-14(10-12-15)22(27)28)13-24-23(29)32-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,21H,13H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeyMCZWCVIDOOOTMN-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.69
Rot. Bonds6

About 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid

4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid (PubChem CID 134510783) has the molecular formula C23H18N2O7S and a molecular weight of 466.47 g/mol. Its IUPAC name is 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid
PubChem CID134510783
Molecular FormulaC23H18N2O7S
Molecular Weight466.47 g/mol
Exact Mass466.08
IUPAC Name4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid
SMILESO=C(CNC(=O)OC1c2ccccc2-c2ccccc21)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H18N2O7S/c26-20(25-33(30,31)15-11-9-14(10-12-15)22(27)28)13-24-23(29)32-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,21H,13H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeyMCZWCVIDOOOTMN-UHFFFAOYSA-N
XLogP2.69
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
CID 132580669
4-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopropyl]amino]benzoic acid
CID 66966516
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfamoyl)benzoic acid
CID 110709324
9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
CID 8524888
ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
CID 159037890
4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid
CID 10022111
4-(diphenoxyphosphinothioylsulfamoyl)benzoic acid
CID 100929558
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
CID 175278848

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid (CID 134510783) is 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid is O=C(CNC(=O)OC1c2ccccc2-c2ccccc21)NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid?
The InChIKey is MCZWCVIDOOOTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O7S/c26-20(25-33(30,31)15-11-9-14(10-12-15)22(27)28)13-24-23(29)32-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,21H,13H2,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid?
4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid has a molecular weight of 466.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(9H-fluoren-9-yloxycarbonylamino)acetyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 134510783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).