(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate

C9H9BrNO5S- — CID 2340139

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
SMILESO=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/p-1/t8-/m1/s1
InChIKeyZNIKCDQUKAIUGM-MRVPVSSYSA-M
MW323.14 g/mol
LogP-1.16
Rot. Bonds5

About (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate

(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 2340139) has the molecular formula C9H9BrNO5S- and a molecular weight of 323.14 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
PubChem CID2340139
Molecular FormulaC9H9BrNO5S-
Molecular Weight323.14 g/mol
Exact Mass321.94
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
SMILESO=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/p-1/t8-/m1/s1
InChIKeyZNIKCDQUKAIUGM-MRVPVSSYSA-M
XLogP-1.16
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 6933555
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 1242610
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid
CID 107266567
[2-(4-methylanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
CID 55307019
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
CID 6973917
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
CID 55458128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate (CID 2340139) is (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate is O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is ZNIKCDQUKAIUGM-MRVPVSSYSA-M. The full InChI is InChI=1S/C9H10BrNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate?
(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 323.14 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 2340139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).