N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide

C16H11F3N4O3S2 — CID 53100443

IUPACN-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2cccc(F)c2)s1
InChIInChI=1S/C16H11F3N4O3S2/c17-9-2-1-3-11(6-9)28(25,26)20-8-14-22-23-16(27-14)15(24)21-13-5-4-10(18)7-12(13)19/h1-7,20H,8H2,(H,21,24)
InChIKeyXACMUXJUUJXBAJ-UHFFFAOYSA-N
MW428.42 g/mol
LogP2.69
Rot. Bonds6

About N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide

N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 53100443) has the molecular formula C16H11F3N4O3S2 and a molecular weight of 428.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID53100443
Molecular FormulaC16H11F3N4O3S2
Molecular Weight428.42 g/mol
Exact Mass428.02
IUPAC NameN-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2cccc(F)c2)s1
InChIInChI=1S/C16H11F3N4O3S2/c17-9-2-1-3-11(6-9)28(25,26)20-8-14-22-23-16(27-14)15(24)21-13-5-4-10(18)7-12(13)19/h1-7,20H,8H2,(H,21,24)
InChIKeyXACMUXJUUJXBAJ-UHFFFAOYSA-N
XLogP2.69
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-5-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53100251
5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143
5-[[(5-fluoro-2-methylphenyl)sulfonylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53100253
5-[[(2-acetamido-5-methylphenyl)sulfonylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53100254
5-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53100304
5-[3-(2,4-difluoroanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354363
N-(3-chlorophenyl)-5-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53100271
5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818682
N-(3-fluorophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099884
N-(2,4-difluorophenyl)-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
CID 9164959
N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24639452
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 53100443) is N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XACMUXJUUJXBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3S2/c17-9-2-1-3-11(6-9)28(25,26)20-8-14-22-23-16(27-14)15(24)21-13-5-4-10(18)7-12(13)19/h1-7,20H,8H2,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[[(3-fluorophenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 53100443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).