2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid

C14H11Cl2NO4S — CID 71563429

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H11Cl2NO4S/c15-10-6-7-11(16)12(8-10)22(20,21)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKeyUKZWBGGGZLSASJ-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.10
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid

2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 71563429) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID71563429
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H11Cl2NO4S/c15-10-6-7-11(16)12(8-10)22(20,21)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKeyUKZWBGGGZLSASJ-UHFFFAOYSA-N
XLogP3.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 43089617
(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid (CID 71563429) is 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid is O=C(O)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is UKZWBGGGZLSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-10-6-7-11(16)12(8-10)22(20,21)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid?
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 360.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 71563429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).