N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C17H13F2N3O3S2 — CID 87486453

IUPACN-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13F2N3O3S2/c18-13-4-1-12(15(19)9-13)10-21-16(23)11-2-5-14(6-3-11)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyZBIMBBAWRQCBON-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.15
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87486453) has the molecular formula C17H13F2N3O3S2 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87486453
Molecular FormulaC17H13F2N3O3S2
Molecular Weight409.44 g/mol
Exact Mass409.04
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13F2N3O3S2/c18-13-4-1-12(15(19)9-13)10-21-16(23)11-2-5-14(6-3-11)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyZBIMBBAWRQCBON-UHFFFAOYSA-N
XLogP3.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
3-(4-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19514441
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87486453) is N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NCc1ccc(F)cc1F)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is ZBIMBBAWRQCBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S2/c18-13-4-1-12(15(19)9-13)10-21-16(23)11-2-5-14(6-3-11)27(24,25)22-17-20-7-8-26-17/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 409.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87486453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).