methyl 4-chloro-2-(sulfamoylamino)benzoate

C8H9ClN2O4S — CID 112573367

IUPACmethyl 4-chloro-2-(sulfamoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C8H9ClN2O4S/c1-15-8(12)6-3-2-5(9)4-7(6)11-16(10,13)14/h2-4,11H,1H3,(H2,10,13,14)
InChIKeyGHDWEXRNXLPJBM-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.74
Rot. Bonds3

About methyl 4-chloro-2-(sulfamoylamino)benzoate

methyl 4-chloro-2-(sulfamoylamino)benzoate (PubChem CID 112573367) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is methyl 4-chloro-2-(sulfamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(sulfamoylamino)benzoate
PubChem CID112573367
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Namemethyl 4-chloro-2-(sulfamoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C8H9ClN2O4S/c1-15-8(12)6-3-2-5(9)4-7(6)11-16(10,13)14/h2-4,11H,1H3,(H2,10,13,14)
InChIKeyGHDWEXRNXLPJBM-UHFFFAOYSA-N
XLogP0.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-2-(sulfamoylamino)benzoate 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

methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330
methyl 4-chloro-2-(ethylsulfonylamino)benzoate
CID 18350465
2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361877
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 4-chloro-2-(ethylsulfonylmethylamino)benzoate
CID 57198531
4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-chlorobenzoate
CID 2493561
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
methyl 2,4-difluoro-5-(sulfamoylamino)benzoate
CID 112573353

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(sulfamoylamino)benzoate?
The IUPAC name of methyl 4-chloro-2-(sulfamoylamino)benzoate (CID 112573367) is methyl 4-chloro-2-(sulfamoylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(sulfamoylamino)benzoate?
The canonical SMILES for methyl 4-chloro-2-(sulfamoylamino)benzoate is COC(=O)c1ccc(Cl)cc1NS(N)(=O)=O.
What is the InChIKey of methyl 4-chloro-2-(sulfamoylamino)benzoate?
The InChIKey is GHDWEXRNXLPJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c1-15-8(12)6-3-2-5(9)4-7(6)11-16(10,13)14/h2-4,11H,1H3,(H2,10,13,14).
What are the key properties of methyl 4-chloro-2-(sulfamoylamino)benzoate?
methyl 4-chloro-2-(sulfamoylamino)benzoate has a molecular weight of 264.69 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(sulfamoylamino)benzoate is sourced from PubChem (CID 112573367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).