4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide

C16H12ClN3O3S2 — CID 167805479

IUPAC4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12ClN3O3S2/c17-16-19-13(10-4-2-1-3-5-10)15(24-16)25(22,23)20-12-8-6-11(7-9-12)14(18)21/h1-9,20H,(H2,18,21)
InChIKeyWYTNVUVVDPIIOG-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.36
Rot. Bonds5

About 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide

4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide (PubChem CID 167805479) has the molecular formula C16H12ClN3O3S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide
PubChem CID167805479
Molecular FormulaC16H12ClN3O3S2
Molecular Weight393.88 g/mol
Exact Mass393.00
IUPAC Name4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12ClN3O3S2/c17-16-19-13(10-4-2-1-3-5-10)15(24-16)25(22,23)20-12-8-6-11(7-9-12)14(18)21/h1-9,20H,(H2,18,21)
InChIKeyWYTNVUVVDPIIOG-UHFFFAOYSA-N
XLogP3.36
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide
CID 136585419
4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
CID 117073988
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 43456434
benzamide;5,6-diphenyltetrazine
CID 174808864
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
4-[(2,6-difluorophenyl)sulfonylamino]benzamide
CID 4880807
benzene-1,4-dicarboxamide;benzenesulfonyl chloride
CID 175228763
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 60749460

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide (CID 167805479) is 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide is NC(=O)c1ccc(NS(=O)(=O)c2sc(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide?
The InChIKey is WYTNVUVVDPIIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S2/c17-16-19-13(10-4-2-1-3-5-10)15(24-16)25(22,23)20-12-8-6-11(7-9-12)14(18)21/h1-9,20H,(H2,18,21).
What are the key properties of 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide?
4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide has a molecular weight of 393.88 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 167805479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).