(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid

C11H13Cl2NO4S — CID 93252465

IUPAC(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-2-3-10(11(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,10,14H,2-3H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyYMMOYUNNHVCDEK-SNVBAGLBSA-N
MW326.20 g/mol
LogP2.53
Rot. Bonds6

About (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid

(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid (PubChem CID 93252465) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
PubChem CID93252465
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-2-3-10(11(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,10,14H,2-3H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyYMMOYUNNHVCDEK-SNVBAGLBSA-N
XLogP2.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
2-[[2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]hexanoic acid
CID 20610235
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid (CID 93252465) is (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is YMMOYUNNHVCDEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-2-3-10(11(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,10,14H,2-3H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 93252465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).