(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid

C12H11ClN2O4S — CID 107314959

IUPAC(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)c1cc[nH]c1)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O4S/c13-10-4-2-1-3-9(10)11(12(16)17)15-20(18,19)8-5-6-14-7-8/h1-7,11,14-15H,(H,16,17)/t11-/m1/s1
InChIKeyICVWOHNEMRHIOK-LLVKDONJSA-N
MW314.75 g/mol
LogP1.77
Rot. Bonds5

About (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid (PubChem CID 107314959) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
PubChem CID107314959
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)c1cc[nH]c1)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O4S/c13-10-4-2-1-3-9(10)11(12(16)17)15-20(18,19)8-5-6-14-7-8/h1-7,11,14-15H,(H,16,17)/t11-/m1/s1
InChIKeyICVWOHNEMRHIOK-LLVKDONJSA-N
XLogP1.77
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic 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-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
3-phenyl-3-(1H-pyrrol-3-ylsulfonylamino)propanoic acid
CID 43294270
3-hydroxy-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294291
(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
CID 107314914
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
4-phenyl-4-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 60827707
2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 154740689
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
CID 81377048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid (CID 107314959) is (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid is O=C(O)[C@H](NS(=O)(=O)c1cc[nH]c1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
The InChIKey is ICVWOHNEMRHIOK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c13-10-4-2-1-3-9(10)11(12(16)17)15-20(18,19)8-5-6-14-7-8/h1-7,11,14-15H,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid has a molecular weight of 314.75 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid is sourced from PubChem (CID 107314959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).