(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid

C12H14BrNO6S — CID 107266567

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C12H14BrNO6S/c13-8-4-6-9(7-5-8)21(19,20)14-10(12(17)18)2-1-3-11(15)16/h4-7,10,14H,1-3H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyXLOSCDWZCGFLEV-SNVBAGLBSA-N
MW380.22 g/mol
LogP1.44
Rot. Bonds8

About (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid

(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid (PubChem CID 107266567) has the molecular formula C12H14BrNO6S and a molecular weight of 380.22 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid
PubChem CID107266567
Molecular FormulaC12H14BrNO6S
Molecular Weight380.22 g/mol
Exact Mass378.97
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C12H14BrNO6S/c13-8-4-6-9(7-5-8)21(19,20)14-10(12(17)18)2-1-3-11(15)16/h4-7,10,14H,1-3H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyXLOSCDWZCGFLEV-SNVBAGLBSA-N
XLogP1.44
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
(2S)-2,6-bis[(4-bromophenyl)sulfonylamino]hexanoic acid
CID 86604364
(2R)-2-[(4-bromophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936115
(2S)-2-[(4-bromophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935713
(2S)-2-[(3-bromophenyl)sulfonylamino]octanedioic acid
CID 90926104
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]octanedioic acid
CID 140522092
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 1242610
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
(2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(3-phenylpropanoylamino)hexanoic acid
CID 10816934
(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
CID 25138182
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid (CID 107266567) is (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid is O=C(O)CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid?
The InChIKey is XLOSCDWZCGFLEV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14BrNO6S/c13-8-4-6-9(7-5-8)21(19,20)14-10(12(17)18)2-1-3-11(15)16/h4-7,10,14H,1-3H2,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid?
(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid has a molecular weight of 380.22 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid is sourced from PubChem (CID 107266567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).