2-chloro-5-(dimethylsulfamoyl)benzoic acid

C9H10ClNO4S — CID 2324784

IUPAC2-chloro-5-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyGHZFXVLKFOAKRO-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.29
Rot. Bonds3

About 2-chloro-5-(dimethylsulfamoyl)benzoic acid

2-chloro-5-(dimethylsulfamoyl)benzoic acid (PubChem CID 2324784) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)benzoic acid
PubChem CID2324784
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Name2-chloro-5-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyGHZFXVLKFOAKRO-UHFFFAOYSA-N
XLogP1.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
CID 53228824
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
2-chloro-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60951203
5-(dimethylsulfamoyl)-2-ethylsulfanylbenzoic acid
CID 61379170
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)benzoic acid (CID 2324784) is 2-chloro-5-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)benzoic acid is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)benzoic acid?
The InChIKey is GHZFXVLKFOAKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)benzoic acid?
2-chloro-5-(dimethylsulfamoyl)benzoic acid has a molecular weight of 263.70 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2324784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).