N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide

C12H12ClN3O3S2 — CID 63047654

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cscn2)c1
InChIInChI=1S/C12H12ClN3O3S2/c1-16(2)21(18,19)8-3-4-9(13)10(5-8)15-12(17)11-6-20-7-14-11/h3-7H,1-2H3,(H,15,17)
InChIKeyRDTGGURQCTWHOL-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.30
Rot. Bonds4

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 63047654) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID63047654
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cscn2)c1
InChIInChI=1S/C12H12ClN3O3S2/c1-16(2)21(18,19)8-3-4-9(13)10(5-8)15-12(17)11-6-20-7-14-11/h3-7H,1-2H3,(H,15,17)
InChIKeyRDTGGURQCTWHOL-UHFFFAOYSA-N
XLogP2.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55143825
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503075
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
CID 5218436
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 63047654) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cscn2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RDTGGURQCTWHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-16(2)21(18,19)8-3-4-9(13)10(5-8)15-12(17)11-6-20-7-14-11/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).