2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid

C14H12BrNO4S — CID 43089617

IUPAC2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrNO4S/c15-11-8-4-5-9-12(11)21(19,20)16-13(14(17)18)10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18)
InChIKeyLWRLHSZKRFSSQD-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid

2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 43089617) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID43089617
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrNO4S/c15-11-8-4-5-9-12(11)21(19,20)16-13(14(17)18)10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18)
InChIKeyLWRLHSZKRFSSQD-UHFFFAOYSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-phenylacetic acid
CID 103862420
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetic acid
CID 585289
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
methyl 2-[[(2-bromophenyl)sulfonylamino]-(4-chlorophenyl)methyl]prop-2-enoate
CID 101421926
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid (CID 43089617) is 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid is O=C(O)C(NS(=O)(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is LWRLHSZKRFSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-8-4-5-9-12(11)21(19,20)16-13(14(17)18)10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid?
2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 370.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 43089617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).