N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide

C15H9F4N3O2S2 — CID 88922436

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESNc1nc(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)cs1
InChIInChI=1S/C15H9F4N3O2S2/c16-7-1-2-8(17)12(5-7)26(23,24)22-10-4-3-9(18)13(14(10)19)11-6-25-15(20)21-11/h1-6,22H,(H2,20,21)
InChIKeyPGRCCSDTNWHJMH-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.75
Rot. Bonds4

About N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide

N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 88922436) has the molecular formula C15H9F4N3O2S2 and a molecular weight of 403.38 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
PubChem CID88922436
Molecular FormulaC15H9F4N3O2S2
Molecular Weight403.38 g/mol
Exact Mass403.01
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESNc1nc(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)cs1
InChIInChI=1S/C15H9F4N3O2S2/c16-7-1-2-8(17)12(5-7)26(23,24)22-10-4-3-9(18)13(14(10)19)11-6-25-15(20)21-11/h1-6,22H,(H2,20,21)
InChIKeyPGRCCSDTNWHJMH-UHFFFAOYSA-N
XLogP3.75
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide 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

2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
CID 44621869
N-[3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 86636591
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622365
[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
CID 174629530
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028842

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide (CID 88922436) is N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide is Nc1nc(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is PGRCCSDTNWHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2S2/c16-7-1-2-8(17)12(5-7)26(23,24)22-10-4-3-9(18)13(14(10)19)11-6-25-15(20)21-11/h1-6,22H,(H2,20,21).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 403.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 88922436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).