2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid

C11H14ClNO4S — CID 113437740

IUPAC2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-7(2)6-13-18(16,17)8-3-4-9(11(14)15)10(12)5-8/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyDECJVGNATVZRHM-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.97
Rot. Bonds5

About 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid

2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid (PubChem CID 113437740) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
PubChem CID113437740
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-7(2)6-13-18(16,17)8-3-4-9(11(14)15)10(12)5-8/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyDECJVGNATVZRHM-UHFFFAOYSA-N
XLogP1.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656097
2-chloro-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 107090099
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid (CID 113437740) is 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid is CC(C)CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid?
The InChIKey is DECJVGNATVZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7(2)6-13-18(16,17)8-3-4-9(11(14)15)10(12)5-8/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid?
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 113437740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).