(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid

C16H13NO7S — CID 141017674

IUPAC(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C16H13NO7S/c18-15(19)8-12(16(20)21)17-25(22,23)9-5-6-14-11(7-9)10-3-1-2-4-13(10)24-14/h1-7,12,17H,8H2,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyKLJMAQDORBAMIU-LBPRGKRZSA-N
MW363.35 g/mol
LogP1.79
Rot. Bonds6

About (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid

(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid (PubChem CID 141017674) has the molecular formula C16H13NO7S and a molecular weight of 363.35 g/mol. Its IUPAC name is (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
PubChem CID141017674
Molecular FormulaC16H13NO7S
Molecular Weight363.35 g/mol
Exact Mass363.04
IUPAC Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C16H13NO7S/c18-15(19)8-12(16(20)21)17-25(22,23)9-5-6-14-11(7-9)10-3-1-2-4-13(10)24-14/h1-7,12,17H,8H2,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyKLJMAQDORBAMIU-LBPRGKRZSA-N
XLogP1.79
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
CID 54121910
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)butanedioic acid
CID 112733090
benzyl N-[(4S,6S)-6-amino-8-(dibenzofuran-2-ylsulfonylamino)-7-hydroxy-2-methyl-5-oxononan-4-yl]carbamate
CID 70008201
4-dibenzofuran-2-yl-4-oxo-2-[(4-phenylbenzoyl)amino]butanoic acid
CID 18325226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid?
The IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid (CID 141017674) is (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid is O=C(O)C[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid?
The InChIKey is KLJMAQDORBAMIU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H13NO7S/c18-15(19)8-12(16(20)21)17-25(22,23)9-5-6-14-11(7-9)10-3-1-2-4-13(10)24-14/h1-7,12,17H,8H2,(H,18,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid?
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid has a molecular weight of 363.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid is sourced from PubChem (CID 141017674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).