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

C24H23N2NaO5S — CID 23721322

IUPACsodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(O)Cn2c3ccccc3c3ccccc32)cc1.[Na+]
InChIInChI=1S/C24H24N2O5S.Na/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);/q;+1/p-1
InChIKeyAHUIEDMTBQVIEZ-UHFFFAOYSA-M
MW474.51 g/mol
LogP-1.09
Rot. Bonds8

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

sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 23721322) has the molecular formula C24H23N2NaO5S and a molecular weight of 474.51 g/mol. Its IUPAC name is sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namesodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate
PubChem CID23721322
Molecular FormulaC24H23N2NaO5S
Molecular Weight474.51 g/mol
Exact Mass474.12
IUPAC Namesodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(O)Cn2c3ccccc3c3ccccc32)cc1.[Na+]
InChIInChI=1S/C24H24N2O5S.Na/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);/q;+1/p-1
InChIKeyAHUIEDMTBQVIEZ-UHFFFAOYSA-M
XLogP-1.09
TPSA102.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate (CID 23721322) is sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(O)Cn2c3ccccc3c3ccccc32)cc1.[Na+].
What is the InChIKey of sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is AHUIEDMTBQVIEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24N2O5S.Na/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);/q;+1/p-1.
What are the key properties of sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate?
sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 474.51 g/mol, XLogP of -1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 23721322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).