4-chloro-3-(dimethylsulfamoyl)benzoic acid

C9H10ClNO4S — CID 853079

IUPAC4-chloro-3-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKeyYMPQIPORTHDIJK-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.29
Rot. Bonds3

About 4-chloro-3-(dimethylsulfamoyl)benzoic acid

4-chloro-3-(dimethylsulfamoyl)benzoic acid (PubChem CID 853079) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)benzoic acid
PubChem CID853079
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Name4-chloro-3-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKeyYMPQIPORTHDIJK-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)benzoic acid (CID 853079) is 4-chloro-3-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)benzoic acid is CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)benzoic acid?
The InChIKey is YMPQIPORTHDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)benzoic acid?
4-chloro-3-(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 4-chloro-3-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 853079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).