2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid

C11H13ClFNO5S — CID 81461406

IUPAC2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
SMILESCOCC(C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H13ClFNO5S/c1-6(5-19-2)14-20(17,18)7-3-8(11(15)16)10(12)9(13)4-7/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeyIHZSBKLHEYHAIV-UHFFFAOYSA-N
MW325.75 g/mol
LogP1.49
Rot. Bonds6

About 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid

2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid (PubChem CID 81461406) has the molecular formula C11H13ClFNO5S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
PubChem CID81461406
Molecular FormulaC11H13ClFNO5S
Molecular Weight325.75 g/mol
Exact Mass325.02
IUPAC Name2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
SMILESCOCC(C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H13ClFNO5S/c1-6(5-19-2)14-20(17,18)7-3-8(11(15)16)10(12)9(13)4-7/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeyIHZSBKLHEYHAIV-UHFFFAOYSA-N
XLogP1.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic 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-chloro-3-fluoro-5-(4-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 83177835
2-chloro-5-(1-cyclopropylpropan-2-ylsulfamoyl)-3-fluorobenzoic acid
CID 81451923
2-chloro-3-fluoro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 81460955
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
5-[(2-amino-2-oxoethoxy)sulfamoyl]-2-chloro-3-fluorobenzoic acid
CID 115992021
2-chloro-3-fluoro-5-(4-methoxybutylsulfonyl)benzoic acid
CID 104648189
5-(tert-butylsulfamoyl)-2-chloro-3-fluorobenzoic acid
CID 81461252
2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99988329
2-chloro-3-fluoro-5-[(4-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 81450456
2-chloro-3-fluoro-5-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120518
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid (CID 81461406) is 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid is COCC(C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The InChIKey is IHZSBKLHEYHAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO5S/c1-6(5-19-2)14-20(17,18)7-3-8(11(15)16)10(12)9(13)4-7/h3-4,6,14H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid has a molecular weight of 325.75 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 81461406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).