propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate

C13H15Cl2NO4S — CID 46574592

IUPACpropan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
SMILESCC(C)OC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-7(2)20-13(17)9-5-12(11(15)6-10(9)14)21(18,19)16-8-3-4-8/h5-8,16H,3-4H2,1-2H3
InChIKeyJWCABJOPFGGEDQ-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.00
Rot. Bonds5

About propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate

propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate (PubChem CID 46574592) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
PubChem CID46574592
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Namepropan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
SMILESCC(C)OC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-7(2)20-13(17)9-5-12(11(15)6-10(9)14)21(18,19)16-8-3-4-8/h5-8,16H,3-4H2,1-2H3
InChIKeyJWCABJOPFGGEDQ-UHFFFAOYSA-N
XLogP3.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46624286
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 92733265
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46806330
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 19257581
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate (CID 46574592) is propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate is CC(C)OC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate?
The InChIKey is JWCABJOPFGGEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c1-7(2)20-13(17)9-5-12(11(15)6-10(9)14)21(18,19)16-8-3-4-8/h5-8,16H,3-4H2,1-2H3.
What are the key properties of propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate?
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate has a molecular weight of 352.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 46574592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).