2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid

C11H13Cl2NO4S — CID 877955

IUPAC2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-6(2)5-14-19(17,18)10-3-7(11(15)16)8(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeySNZSFWOSJFUAFS-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.63
Rot. Bonds5

About 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid

2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid (PubChem CID 877955) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
PubChem CID877955
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-6(2)5-14-19(17,18)10-3-7(11(15)16)8(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeySNZSFWOSJFUAFS-UHFFFAOYSA-N
XLogP2.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532
2,4-dichloro-5-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656139
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
CID 66170591
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865
2,4-dichloro-5-(3,3-dimethylbutylsulfamoyl)benzoic acid
CID 115581011
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65108091
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 78796282

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid (CID 877955) is 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid is CC(C)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid?
The InChIKey is SNZSFWOSJFUAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-6(2)5-14-19(17,18)10-3-7(11(15)16)8(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid?
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 877955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).