(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid

C10H10BrCl2NO5S — CID 28828747

IUPAC(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H10BrCl2NO5S/c1-4(15)8(10(16)17)14-20(18,19)9-6(12)2-5(11)3-7(9)13/h2-4,8,14-15H,1H3,(H,16,17)/t4-,8+/m1/s1
InChIKeyZEOLXXIGCPYRSJ-VHWMUFPASA-N
MW407.07 g/mol
LogP1.87
Rot. Bonds5

About (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 28828747) has the molecular formula C10H10BrCl2NO5S and a molecular weight of 407.07 g/mol. Its IUPAC name is (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID28828747
Molecular FormulaC10H10BrCl2NO5S
Molecular Weight407.07 g/mol
Exact Mass404.88
IUPAC Name(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H10BrCl2NO5S/c1-4(15)8(10(16)17)14-20(18,19)9-6(12)2-5(11)3-7(9)13/h2-4,8,14-15H,1H3,(H,16,17)/t4-,8+/m1/s1
InChIKeyZEOLXXIGCPYRSJ-VHWMUFPASA-N
XLogP1.87
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.07
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067838
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
(2S,3R)-2-[(3-bromophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828771
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935243
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
(2S,3R)-3-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 104935314

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 28828747) is (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is ZEOLXXIGCPYRSJ-VHWMUFPASA-N. The full InChI is InChI=1S/C10H10BrCl2NO5S/c1-4(15)8(10(16)17)14-20(18,19)9-6(12)2-5(11)3-7(9)13/h2-4,8,14-15H,1H3,(H,16,17)/t4-,8+/m1/s1.
What are the key properties of (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 407.07 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 28828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).