2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid

C11H13ClFNO4S — CID 60827819

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO4S/c1-7(2)14(6-11(15)16)19(17,18)10-4-3-8(13)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeySWSSQPWUGKWFEL-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.96
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid

2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid (PubChem CID 60827819) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
PubChem CID60827819
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO4S/c1-7(2)14(6-11(15)16)19(17,18)10-4-3-8(13)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeySWSSQPWUGKWFEL-UHFFFAOYSA-N
XLogP1.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]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

2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 54900227
2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829469
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-[(5-chloro-2-methylphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60828649
2-[(5-chloro-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 120602751
2-[(4-fluoro-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62033701
ethyl 2-[(2-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61127209
2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55559782
2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid
CID 60828317
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
3-[(2-chloro-5-fluorophenyl)sulfonyl-propan-2-ylamino]propanethioamide
CID 105400146

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid (CID 60827819) is 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid?
The InChIKey is SWSSQPWUGKWFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c1-7(2)14(6-11(15)16)19(17,18)10-4-3-8(13)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid?
2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid has a molecular weight of 309.75 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60827819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).