2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid

C13H15Cl2NO4S — CID 43317193

IUPAC2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)NCC2CCCC2)c1Cl
InChIInChI=1S/C13H15Cl2NO4S/c14-9-5-6-10(12(15)11(9)13(17)18)21(19,20)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7H2,(H,17,18)
InChIKeyFWMQXGFLWMUFCF-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.16
Rot. Bonds5

About 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid

2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid (PubChem CID 43317193) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
PubChem CID43317193
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)NCC2CCCC2)c1Cl
InChIInChI=1S/C13H15Cl2NO4S/c14-9-5-6-10(12(15)11(9)13(17)18)21(19,20)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7H2,(H,17,18)
InChIKeyFWMQXGFLWMUFCF-UHFFFAOYSA-N
XLogP3.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316637
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717277
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247630
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid (CID 43317193) is 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid is O=C(O)c1c(Cl)ccc(S(=O)(=O)NCC2CCCC2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid?
The InChIKey is FWMQXGFLWMUFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-9-5-6-10(12(15)11(9)13(17)18)21(19,20)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7H2,(H,17,18).
What are the key properties of 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid?
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid has a molecular weight of 352.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 43317193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).