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

C16H10F4N2O2S2 — CID 112812067

IUPACN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc(F)ccc1F
InChIInChI=1S/C16H10F4N2O2S2/c17-10-2-4-13(19)15(7-10)26(23,24)22-16-21-8-11(25-16)5-9-1-3-12(18)14(20)6-9/h1-4,6-8H,5H2,(H,21,22)
InChIKeyFGOQRIGDAONJLT-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.09
Rot. Bonds5

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

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 112812067) has the molecular formula C16H10F4N2O2S2 and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
PubChem CID112812067
Molecular FormulaC16H10F4N2O2S2
Molecular Weight402.39 g/mol
Exact Mass402.01
IUPAC NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc(F)ccc1F
InChIInChI=1S/C16H10F4N2O2S2/c17-10-2-4-13(19)15(7-10)26(23,24)22-16-21-8-11(25-16)5-9-1-3-12(18)14(20)6-9/h1-4,6-8H,5H2,(H,21,22)
InChIKeyFGOQRIGDAONJLT-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
methyl 3-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 112812076
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 112818482
4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112812064
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 57414509
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 167947840
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 78894921
4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 78819960
3-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074628
4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587826
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide (CID 112812067) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc(F)ccc1F.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FGOQRIGDAONJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2S2/c17-10-2-4-13(19)15(7-10)26(23,24)22-16-21-8-11(25-16)5-9-1-3-12(18)14(20)6-9/h1-4,6-8H,5H2,(H,21,22).
What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide?
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 402.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 112812067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).