2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid

C10H10ClNO6S — CID 43361877

IUPAC2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
SMILESCOC(=O)c1ccc(Cl)cc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C10H10ClNO6S/c1-18-10(15)7-3-2-6(11)4-8(7)12-19(16,17)5-9(13)14/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyAWKVVAWZIHSPJM-UHFFFAOYSA-N
MW307.71 g/mol
LogP0.95
Rot. Bonds5

About 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid

2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid (PubChem CID 43361877) has the molecular formula C10H10ClNO6S and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
PubChem CID43361877
Molecular FormulaC10H10ClNO6S
Molecular Weight307.71 g/mol
Exact Mass306.99
IUPAC Name2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
SMILESCOC(=O)c1ccc(Cl)cc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C10H10ClNO6S/c1-18-10(15)7-3-2-6(11)4-8(7)12-19(16,17)5-9(13)14/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyAWKVVAWZIHSPJM-UHFFFAOYSA-N
XLogP0.95
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-(ethylsulfonylamino)benzoate
CID 18350465
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655
2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
CID 107624863
methyl 4-chloro-2-(ethylsulfonylmethylamino)benzoate
CID 57198531
methyl 2-(bromomethylsulfonylamino)-5-chlorobenzoate
CID 83085221
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
3-amino-4-(5-chloro-2-methoxycarbonylanilino)-4-oxobutanoic acid
CID 64894323
3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 43716819
3-[(5-chloro-2-methoxycarbonylphenyl)carbamoylamino]propanoic acid
CID 122087667

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid (CID 43361877) is 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid is COC(=O)c1ccc(Cl)cc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid?
The InChIKey is AWKVVAWZIHSPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO6S/c1-18-10(15)7-3-2-6(11)4-8(7)12-19(16,17)5-9(13)14/h2-4,12H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid?
2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid has a molecular weight of 307.71 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43361877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).