2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate

C24H23N2O5S- — CID 22333417

IUPAC2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H24N2O5S/c1-17-10-12-19(13-11-17)32(30,31)25(16-24(28)29)14-18(27)15-26-22-8-4-2-6-20(22)21-7-3-5-9-23(21)26/h2-13,18,27H,14-16H2,1H3,(H,28,29)/p-1
InChIKeySJFIOXWJBXWRPF-UHFFFAOYSA-M
MW451.52 g/mol
LogP1.90
Rot. Bonds8

About 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate

2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 22333417) has the molecular formula C24H23N2O5S- and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate
PubChem CID22333417
Molecular FormulaC24H23N2O5S-
Molecular Weight451.52 g/mol
Exact Mass451.13
IUPAC Name2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H24N2O5S/c1-17-10-12-19(13-11-17)32(30,31)25(16-24(28)29)14-18(27)15-26-22-8-4-2-6-20(22)21-7-3-5-9-23(21)26/h2-13,18,27H,14-16H2,1H3,(H,28,29)/p-1
InChIKeySJFIOXWJBXWRPF-UHFFFAOYSA-M
XLogP1.90
TPSA102.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate (CID 22333417) is 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is SJFIOXWJBXWRPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24N2O5S/c1-17-10-12-19(13-11-17)32(30,31)25(16-24(28)29)14-18(27)15-26-22-8-4-2-6-20(22)21-7-3-5-9-23(21)26/h2-13,18,27H,14-16H2,1H3,(H,28,29)/p-1.
What are the key properties of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 451.52 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 22333417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).