N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide

C23H16FN3O4S2 — CID 16822805

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H16FN3O4S2/c24-15-8-10-17(11-9-15)33(29,30)27-16-5-3-4-14(12-16)22(28)26-23-25-21-18-6-1-2-7-19(18)31-13-20(21)32-23/h1-12,27H,13H2,(H,25,26,28)
InChIKeySAVBURAYWZWNAV-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.89
Rot. Bonds5

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 16822805) has the molecular formula C23H16FN3O4S2 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID16822805
Molecular FormulaC23H16FN3O4S2
Molecular Weight481.53 g/mol
Exact Mass481.06
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H16FN3O4S2/c24-15-8-10-17(11-9-15)33(29,30)27-16-5-3-4-14(12-16)22(28)26-23-25-21-18-6-1-2-7-19(18)31-13-20(21)32-23/h1-12,27H,13H2,(H,25,26,28)
InChIKeySAVBURAYWZWNAV-UHFFFAOYSA-N
XLogP4.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
3-(benzenesulfonamido)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 7541935
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3290409
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
2-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18575759
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 45284124
N-(1,3-benzothiazol-2-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 35993607
3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide (CID 16822805) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is SAVBURAYWZWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O4S2/c24-15-8-10-17(11-9-15)33(29,30)27-16-5-3-4-14(12-16)22(28)26-23-25-21-18-6-1-2-7-19(18)31-13-20(21)32-23/h1-12,27H,13H2,(H,25,26,28).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 481.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 16822805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).