2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C15H15Cl2N3O3S2 — CID 78868548

IUPAC2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC3(Cl)Cl)n2)cc1
InChIInChI=1S/C15H15Cl2N3O3S2/c1-20(2)25(22,23)10-5-3-9(4-6-10)12-8-24-14(18-12)19-13(21)11-7-15(11,16)17/h3-6,8,11H,7H2,1-2H3,(H,18,19,21)
InChIKeyXWRKEEIGDRLHBF-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.19
Rot. Bonds5

About 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 78868548) has the molecular formula C15H15Cl2N3O3S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID78868548
Molecular FormulaC15H15Cl2N3O3S2
Molecular Weight420.34 g/mol
Exact Mass418.99
IUPAC Name2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC3(Cl)Cl)n2)cc1
InChIInChI=1S/C15H15Cl2N3O3S2/c1-20(2)25(22,23)10-5-3-9(4-6-10)12-8-24-14(18-12)19-13(21)11-7-15(11,16)17/h3-6,8,11H,7H2,1-2H3,(H,18,19,21)
InChIKeyXWRKEEIGDRLHBF-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86955534
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 5080818
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935
2-chloro-5-(dimethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24657619
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55763498

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 78868548) is 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC3(Cl)Cl)n2)cc1.
What is the InChIKey of 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is XWRKEEIGDRLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S2/c1-20(2)25(22,23)10-5-3-9(4-6-10)12-8-24-14(18-12)19-13(21)11-7-15(11,16)17/h3-6,8,11H,7H2,1-2H3,(H,18,19,21).
What are the key properties of 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78868548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).