propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate

C12H16ClNO5S — CID 3853421

IUPACpropan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(=O)OC(C)C
InChIInChI=1S/C12H16ClNO5S/c1-8(2)19-12(15)7-14-20(16,17)11-6-9(13)4-5-10(11)18-3/h4-6,8,14H,7H2,1-3H3
InChIKeyPFJQOEADBGWJCO-UHFFFAOYSA-N
MW321.78 g/mol
LogP1.58
Rot. Bonds6

About propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate

propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate (PubChem CID 3853421) has the molecular formula C12H16ClNO5S and a molecular weight of 321.78 g/mol. Its IUPAC name is propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
PubChem CID3853421
Molecular FormulaC12H16ClNO5S
Molecular Weight321.78 g/mol
Exact Mass321.04
IUPAC Namepropan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(=O)OC(C)C
InChIInChI=1S/C12H16ClNO5S/c1-8(2)19-12(15)7-14-20(16,17)11-6-9(13)4-5-10(11)18-3/h4-6,8,14H,7H2,1-3H3
InChIKeyPFJQOEADBGWJCO-UHFFFAOYSA-N
XLogP1.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate 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

N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065075
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
CID 70601990
CID 70601990
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate (CID 3853421) is propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate is COc1ccc(Cl)cc1S(=O)(=O)NCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is PFJQOEADBGWJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5S/c1-8(2)19-12(15)7-14-20(16,17)11-6-9(13)4-5-10(11)18-3/h4-6,8,14H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 321.78 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3853421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).