2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid

C11H11Cl2NO4S — CID 43247630

IUPAC2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C11H11Cl2NO4S/c1-14(6-2-3-6)19(17,18)8-5-4-7(12)9(10(8)13)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyXQWYOVKGSWNWOC-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.47
Rot. Bonds4

About 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid

2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43247630) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
PubChem CID43247630
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C11H11Cl2NO4S/c1-14(6-2-3-6)19(17,18)8-5-4-7(12)9(10(8)13)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyXQWYOVKGSWNWOC-UHFFFAOYSA-N
XLogP2.47
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263300
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
3-[butan-2-yl(ethyl)sulfamoyl]-2,6-dichlorobenzoic acid
CID 43274410
2,6-dichloro-3-(3-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 61227210
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
2,6-dichloro-3-(2-hydroxypropylsulfonyl)benzoic acid
CID 65277506
2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717277
3-but-2-ynylsulfonyl-2,6-dichlorobenzoic acid
CID 55057646

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid (CID 43247630) is 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid is CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is XQWYOVKGSWNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c1-14(6-2-3-6)19(17,18)8-5-4-7(12)9(10(8)13)11(15)16/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 324.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43247630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).