(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate

C11H10ClNO6S-2 — CID 2476101

IUPAC(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate
SMILESO=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-]
InChIInChI=1S/C11H12ClNO6S/c12-7-2-1-3-8(6-7)20(18,19)13-9(11(16)17)4-5-10(14)15/h1-3,6,9,13H,4-5H2,(H,14,15)(H,16,17)/p-2/t9-/m1/s1
InChIKeyHLWUFGHBMPJCRM-SECBINFHSA-L
MW319.72 g/mol
LogP-1.73
Rot. Bonds7

About (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate

(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate (PubChem CID 2476101) has the molecular formula C11H10ClNO6S-2 and a molecular weight of 319.72 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate
PubChem CID2476101
Molecular FormulaC11H10ClNO6S-2
Molecular Weight319.72 g/mol
Exact Mass318.99
IUPAC Name(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate
SMILESO=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-]
InChIInChI=1S/C11H12ClNO6S/c12-7-2-1-3-8(6-7)20(18,19)13-9(11(16)17)4-5-10(14)15/h1-3,6,9,13H,4-5H2,(H,14,15)(H,16,17)/p-2/t9-/m1/s1
InChIKeyHLWUFGHBMPJCRM-SECBINFHSA-L
XLogP-1.73
TPSA126.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(3-methylphenyl)sulfonylamino]pentanedioate
CID 2422442
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5055809
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2427322
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate?
The IUPAC name of (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate (CID 2476101) is (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate is O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-].
What is the InChIKey of (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate?
The InChIKey is HLWUFGHBMPJCRM-SECBINFHSA-L. The full InChI is InChI=1S/C11H12ClNO6S/c12-7-2-1-3-8(6-7)20(18,19)13-9(11(16)17)4-5-10(14)15/h1-3,6,9,13H,4-5H2,(H,14,15)(H,16,17)/p-2/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate?
(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate has a molecular weight of 319.72 g/mol, XLogP of -1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate is sourced from PubChem (CID 2476101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).