2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid

C21H17FN2O4S — CID 71450296

IUPAC2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid
SMILESCN(c1ccc2c(c1)c1ccccc1n2CC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-12H,13H2,1H3,(H,25,26)
InChIKeyNWQNPLXAJPJKQJ-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.84
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid

2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid (PubChem CID 71450296) has the molecular formula C21H17FN2O4S and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid
PubChem CID71450296
Molecular FormulaC21H17FN2O4S
Molecular Weight412.44 g/mol
Exact Mass412.09
IUPAC Name2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid
SMILESCN(c1ccc2c(c1)c1ccccc1n2CC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-12H,13H2,1H3,(H,25,26)
InChIKeyNWQNPLXAJPJKQJ-UHFFFAOYSA-N
XLogP3.84
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid (CID 71450296) is 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid is CN(c1ccc2c(c1)c1ccccc1n2CC(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid?
The InChIKey is NWQNPLXAJPJKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid?
2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid has a molecular weight of 412.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]carbazol-9-yl]acetic acid is sourced from PubChem (CID 71450296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).