5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

C108H126F7N21O24S8 — CID 157349769

IUPAC5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NC2=CC=CCC2=O)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccnc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2C)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnoc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ncco2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/2C17H20FN3O3S.C17H19FN2O4S.C15H19FN4O3S.2C14H16FN3O4S.C14H16FN3O3S2/c1-3-12(2)21-25(23,24)14-4-5-16(18)15(10-14)17(22)20-11-13-6-8-19-9-7-13;1-3-12(2)21-25(23,24)14-6-7-16(18)15(9-14)17(22)20-11-13-5-4-8-19-10-13;1-3-11(2)20-25(23,24)12-8-9-14(18)13(10-12)17(22)19-15-6-4-5-7-16(15)21;1-4-10(2)19-24(22,23)11-5-6-13(16)12(9-11)15(21)18-14-7-8-17-20(14)3;1-3-9(2)18-23(20,21)11-4-5-13(15)12(6-11)14(19)17-10-7-16-22-8-10;2*1-3-9(2)18-23(20,21)10-4-5-12(15)11(8-10)13(19)17-14-16-6-7-22-14/h2*4-10,12,21H,3,11H2,1-2H3,(H,20,22);4-6,8-11,20H,3,7H2,1-2H3,(H,19,22);5-10,19H,4H2,1-3H3,(H,18,21);4-9,18H,3H2,1-2H3,(H,17,19);2*4-9,18H,3H2,1-2H3,(H,16,17,19)/t2*12-;11-;10-;3*9-/m1111111/s1
InChIKeyBHJVIIPMIPQMOB-KDBLWQMJSA-N
MW2491.84 g/mol
LogP15.29
Rot. Bonds44

About 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 157349769) has the molecular formula C108H126F7N21O24S8 and a molecular weight of 2491.84 g/mol. Its IUPAC name is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID157349769
Molecular FormulaC108H126F7N21O24S8
Molecular Weight2491.84 g/mol
Exact Mass2489.69
IUPAC Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NC2=CC=CCC2=O)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccnc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2C)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnoc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ncco2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/2C17H20FN3O3S.C17H19FN2O4S.C15H19FN4O3S.2C14H16FN3O4S.C14H16FN3O3S2/c1-3-12(2)21-25(23,24)14-4-5-16(18)15(10-14)17(22)20-11-13-6-8-19-9-7-13;1-3-12(2)21-25(23,24)14-6-7-16(18)15(9-14)17(22)20-11-13-5-4-8-19-10-13;1-3-11(2)20-25(23,24)12-8-9-14(18)13(10-12)17(22)19-15-6-4-5-7-16(15)21;1-4-10(2)19-24(22,23)11-5-6-13(16)12(9-11)15(21)18-14-7-8-17-20(14)3;1-3-9(2)18-23(20,21)11-4-5-13(15)12(6-11)14(19)17-10-7-16-22-8-10;2*1-3-9(2)18-23(20,21)10-4-5-12(15)11(8-10)13(19)17-14-16-6-7-22-14/h2*4-10,12,21H,3,11H2,1-2H3,(H,20,22);4-6,8-11,20H,3,7H2,1-2H3,(H,19,22);5-10,19H,4H2,1-3H3,(H,18,21);4-9,18H,3H2,1-2H3,(H,17,19);2*4-9,18H,3H2,1-2H3,(H,16,17,19)/t2*12-;11-;10-;3*9-/m1111111/s1
InChIKeyBHJVIIPMIPQMOB-KDBLWQMJSA-N
XLogP15.29
TPSA652.51 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002491.84
LogP ≤ 515.29
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 157349769) is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NC2=CC=CCC2=O)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccnc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2C)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnoc2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ncco2)c1.CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2nccs2)c1.
What is the InChIKey of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BHJVIIPMIPQMOB-KDBLWQMJSA-N. The full InChI is InChI=1S/2C17H20FN3O3S.C17H19FN2O4S.C15H19FN4O3S.2C14H16FN3O4S.C14H16FN3O3S2/c1-3-12(2)21-25(23,24)14-4-5-16(18)15(10-14)17(22)20-11-13-6-8-19-9-7-13;1-3-12(2)21-25(23,24)14-6-7-16(18)15(9-14)17(22)20-11-13-5-4-8-19-10-13;1-3-11(2)20-25(23,24)12-8-9-14(18)13(10-12)17(22)19-15-6-4-5-7-16(15)21;1-4-10(2)19-24(22,23)11-5-6-13(16)12(9-11)15(21)18-14-7-8-17-20(14)3;1-3-9(2)18-23(20,21)11-4-5-13(15)12(6-11)14(19)17-10-7-16-22-8-10;2*1-3-9(2)18-23(20,21)10-4-5-12(15)11(8-10)13(19)17-14-16-6-7-22-14/h2*4-10,12,21H,3,11H2,1-2H3,(H,20,22);4-6,8-11,20H,3,7H2,1-2H3,(H,19,22);5-10,19H,4H2,1-3H3,(H,18,21);4-9,18H,3H2,1-2H3,(H,17,19);2*4-9,18H,3H2,1-2H3,(H,16,17,19)/t2*12-;11-;10-;3*9-/m1111111/s1.
What are the key properties of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 2491.84 g/mol, XLogP of 15.29, 44 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 157349769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).