(2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid

C17H17NO5S — CID 25263245

IUPAC(2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyYGNCGRVNRKDKCS-INIZCTEOSA-N
MW347.39 g/mol
LogP2.97
Rot. Bonds5

About (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid

(2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid (PubChem CID 25263245) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid
PubChem CID25263245
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyYGNCGRVNRKDKCS-INIZCTEOSA-N
XLogP2.97
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid (CID 25263245) is (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid is CC(C)[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid?
The InChIKey is YGNCGRVNRKDKCS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid?
(2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid has a molecular weight of 347.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzofuran-2-ylsulfonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 25263245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).