N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline

C82H72F6N14O7S4 — CID 158959717

About N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline

N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline (PubChem CID 158959717) has the molecular formula C82H72F6N14O7S4 and a molecular weight of 1607.82 g/mol. Its IUPAC name is N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline.

Molecular Properties

• Compound Name: N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline
• PubChem CID: 158959717
• Molecular Formula: C82H72F6N14O7S4
• Molecular Weight: 1607.82 g/mol
• Exact Mass: 1606.45
• IUPAC Name: N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline
• SMILES: Cn1cc(-c2ccc(CN3CCS(=O)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CNc3ccccc3S(C)(=O)=O)c(F)c2)cn1.Cn1cc(-c2ccc(Cn3c(=O)sc4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(Cn3cc(S(=O)(=O)CCNC(=O)c4ccccn4)c4c(F)cc(F)cc43)c(F)c2)cn1
• InChI: InChI=1S/C27H22F3N5O3S.C19H18FN3OS.C18H18FN3O2S.C18H14FN3OS/c1-34-14-19(13-33-34)17-5-6-18(21(29)10-17)15-35-16-25(26-22(30)11-20(28)12-24(26)35)39(37,38)9-8-32-27(36)23-4-2-3-7-31-23;1-22-12-16(11-21-22)14-6-7-15(17(20)10-14)13-23-8-9-25(24)19-5-3-2-4-18(19)23;1-22-12-15(11-21-22)13-7-8-14(16(19)9-13)10-20-17-5-3-4-6-18(17)25(2,23)24;1-21-10-14(9-20-21)12-6-7-13(15(19)8-12)11-22-16-4-2-3-5-17(16)24-18(22)23/h2-7,10-14,16H,8-9,15H2,1H3,(H,32,36);2-7,10-12H,8-9,13H2,1H3;3-9,11-12,20H,10H2,1-2H3;2-10H,11H2,1H3
• InChIKey: JMLPUJSXTWPCJX-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 240.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.82
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline?

The IUPAC name of N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline (CID 158959717) is N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline.

What is the SMILES notation for N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline?

The canonical SMILES for N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline is Cn1cc(-c2ccc(CN3CCS(=O)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CNc3ccccc3S(C)(=O)=O)c(F)c2)cn1.Cn1cc(-c2ccc(Cn3c(=O)sc4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(Cn3cc(S(=O)(=O)CCNC(=O)c4ccccn4)c4c(F)cc(F)cc43)c(F)c2)cn1.

What is the InChIKey of N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline?

The InChIKey is JMLPUJSXTWPCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O3S.C19H18FN3OS.C18H18FN3O2S.C18H14FN3OS/c1-34-14-19(13-33-34)17-5-6-18(21(29)10-17)15-35-16-25(26-22(30)11-20(28)12-24(26)35)39(37,38)9-8-32-27(36)23-4-2-3-7-31-23;1-22-12-16(11-21-22)14-6-7-15(17(20)10-14)13-23-8-9-25(24)19-5-3-2-4-18(19)23;1-22-12-15(11-21-22)13-7-8-14(16(19)9-13)10-20-17-5-3-4-6-18(17)25(2,23)24;1-21-10-14(9-20-21)12-6-7-13(15(19)8-12)11-22-16-4-2-3-5-17(16)24-18(22)23/h2-7,10-14,16H,8-9,15H2,1H3,(H,32,36);2-7,10-12H,8-9,13H2,1H3;3-9,11-12,20H,10H2,1-2H3;2-10H,11H2,1H3.

What are the key properties of N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline?

N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline has a molecular weight of 1607.82 g/mol, XLogP of 14.35, 19 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4,6-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylethyl]pyridine-2-carboxamide;3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-benzothiazol-2-one;4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;N-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-methylsulfonylaniline is sourced from PubChem (CID 158959717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).