(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid

C10H10Cl3NO5S — CID 104935094

IUPAC(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO5S/c11-5-3-6(12)9(7(13)4-5)20(18,19)14-8(1-2-15)10(16)17/h3-4,8,14-15H,1-2H2,(H,16,17)/t8-/m0/s1
InChIKeyMBRUXSOOPMQUAD-QMMMGPOBSA-N
MW362.62 g/mol
LogP1.76
Rot. Bonds6

About (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid

(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid (PubChem CID 104935094) has the molecular formula C10H10Cl3NO5S and a molecular weight of 362.62 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
PubChem CID104935094
Molecular FormulaC10H10Cl3NO5S
Molecular Weight362.62 g/mol
Exact Mass360.93
IUPAC Name(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO5S/c11-5-3-6(12)9(7(13)4-5)20(18,19)14-8(1-2-15)10(16)17/h3-4,8,14-15H,1-2H2,(H,16,17)/t8-/m0/s1
InChIKeyMBRUXSOOPMQUAD-QMMMGPOBSA-N
XLogP1.76
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
CID 112733165
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
(2R)-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824092
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069288

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid (CID 104935094) is (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid is O=C(O)[C@H](CCO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid?
The InChIKey is MBRUXSOOPMQUAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10Cl3NO5S/c11-5-3-6(12)9(7(13)4-5)20(18,19)14-8(1-2-15)10(16)17/h3-4,8,14-15H,1-2H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid?
(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid has a molecular weight of 362.62 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104935094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).