2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid

C10H12ClNO6S — CID 120606769

IUPAC2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1cc(Cl)c(S(=O)(=O)NCC(=O)O)cc1OC
InChIInChI=1S/C10H12ClNO6S/c1-17-7-3-6(11)9(4-8(7)18-2)19(15,16)12-5-10(13)14/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyWOSWMUBRGRGAEW-UHFFFAOYSA-N
MW309.73 g/mol
LogP0.72
Rot. Bonds6

About 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid

2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid (PubChem CID 120606769) has the molecular formula C10H12ClNO6S and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
PubChem CID120606769
Molecular FormulaC10H12ClNO6S
Molecular Weight309.73 g/mol
Exact Mass309.01
IUPAC Name2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1cc(Cl)c(S(=O)(=O)NCC(=O)O)cc1OC
InChIInChI=1S/C10H12ClNO6S/c1-17-7-3-6(11)9(4-8(7)18-2)19(15,16)12-5-10(13)14/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyWOSWMUBRGRGAEW-UHFFFAOYSA-N
XLogP0.72
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]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-[(5-ethoxycarbonyl-2-methoxyphenyl)sulfonylamino]acetic acid
CID 120968645
2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 120711359
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 139003553
2-[4-chloro-5-(iodomethyl)-2-methoxyanilino]acetic acid
CID 155215325
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide
CID 167806485

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid (CID 120606769) is 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid is COc1cc(Cl)c(S(=O)(=O)NCC(=O)O)cc1OC.
What is the InChIKey of 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is WOSWMUBRGRGAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO6S/c1-17-7-3-6(11)9(4-8(7)18-2)19(15,16)12-5-10(13)14/h3-4,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid?
2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 309.73 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 120606769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).