N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide

C10H8ClN3O3S2 — CID 63023211

IUPACN-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cscn2)cc1Cl
InChIInChI=1S/C10H8ClN3O3S2/c11-7-3-6(1-2-9(7)19(12,16)17)14-10(15)8-4-18-5-13-8/h1-5H,(H,14,15)(H2,12,16,17)
InChIKeyNZOYMZSPWYDRHL-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.70
Rot. Bonds3

About N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide

N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63023211) has the molecular formula C10H8ClN3O3S2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID63023211
Molecular FormulaC10H8ClN3O3S2
Molecular Weight317.78 g/mol
Exact Mass316.97
IUPAC NameN-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cscn2)cc1Cl
InChIInChI=1S/C10H8ClN3O3S2/c11-7-3-6(1-2-9(7)19(12,16)17)14-10(15)8-4-18-5-13-8/h1-5H,(H,14,15)(H2,12,16,17)
InChIKeyNZOYMZSPWYDRHL-UHFFFAOYSA-N
XLogP1.70
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 63024254
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 170986417
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide (CID 63023211) is N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cscn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NZOYMZSPWYDRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3S2/c11-7-3-6(1-2-9(7)19(12,16)17)14-10(15)8-4-18-5-13-8/h1-5H,(H,14,15)(H2,12,16,17).
What are the key properties of N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63023211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).