(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid

C23H20N2O4S — CID 2211096

IUPAC(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4S/c26-23(27)22(14-18-15-24-21-9-5-4-8-20(18)21)25-30(28,29)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,22,24-25H,14H2,(H,26,27)/t22-/m0/s1
InChIKeyDAGYTGGBYWXSKA-QFIPXVFZSA-N
MW420.49 g/mol
LogP3.81
Rot. Bonds7

About (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid

(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid (PubChem CID 2211096) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
PubChem CID2211096
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4S/c26-23(27)22(14-18-15-24-21-9-5-4-8-20(18)21)25-30(28,29)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,22,24-25H,14H2,(H,26,27)/t22-/m0/s1
InChIKeyDAGYTGGBYWXSKA-QFIPXVFZSA-N
XLogP3.81
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
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(2R)-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanoate
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N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
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2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
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(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid;2-phenylbenzamide
CID 22876307
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
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(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
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(2R)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 29276544
(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
CID 10173762
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid (CID 2211096) is (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid is O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
The InChIKey is DAGYTGGBYWXSKA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20N2O4S/c26-23(27)22(14-18-15-24-21-9-5-4-8-20(18)21)25-30(28,29)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,22,24-25H,14H2,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid has a molecular weight of 420.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 2211096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).