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

C17H15NO7S — CID 54105476

IUPAC(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C17H15NO7S/c19-16(20)8-6-13(17(21)22)18-26(23,24)10-5-7-15-12(9-10)11-3-1-2-4-14(11)25-15/h1-5,7,9,13,18H,6,8H2,(H,19,20)(H,21,22)/t13-/m0/s1
InChIKeyNDLHMLCMEBBXKC-ZDUSSCGKSA-N
MW377.37 g/mol
LogP2.18
Rot. Bonds7

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

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid (PubChem CID 54105476) has the molecular formula C17H15NO7S and a molecular weight of 377.37 g/mol. Its IUPAC name is (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
PubChem CID54105476
Molecular FormulaC17H15NO7S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C17H15NO7S/c19-16(20)8-6-13(17(21)22)18-26(23,24)10-5-7-15-12(9-10)11-3-1-2-4-14(11)25-15/h1-5,7,9,13,18H,6,8H2,(H,19,20)(H,21,22)/t13-/m0/s1
InChIKeyNDLHMLCMEBBXKC-ZDUSSCGKSA-N
XLogP2.18
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
CID 54121910
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
2-[(4-aminonaphthalen-1-yl)sulfonylamino]pentanedioic acid
CID 68818458
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid (CID 54105476) is (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid is O=C(O)CC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid?
The InChIKey is NDLHMLCMEBBXKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15NO7S/c19-16(20)8-6-13(17(21)22)18-26(23,24)10-5-7-15-12(9-10)11-3-1-2-4-14(11)25-15/h1-5,7,9,13,18H,6,8H2,(H,19,20)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid?
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid has a molecular weight of 377.37 g/mol, XLogP of 2.18, 7 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)pentanedioic acid is sourced from PubChem (CID 54105476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).