N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 159867828) has the molecular formula C96H80F4N24O19S7 and a molecular weight of 2174.31 g/mol. Its IUPAC name is N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name	N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID	159867828
Molecular Formula	C96H80F4N24O19S7
Molecular Weight	2174.31 g/mol
Exact Mass	2172.40
IUPAC Name	N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILES	CCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1.Cc1cc(F)c(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1F.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(F)c1.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(F)c1.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cscn3)cn2)cc1.O=C(Nc1cnn(S(=O)(=O)c2ccc3c(c2)CCO3)c1)c1ccccn1
InChI	InChI=1S/C17H14N4O4S.C17H16N4O3S.C16H12F2N4O3S.2C16H13FN4O3S.C14H12N4O3S2/c22-17(15-3-1-2-7-18-15)20-13-10-19-21(11-13)26(23,24)14-4-5-16-12(9-14)6-8-25-16;1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16;1-10-6-13(18)15(7-12(10)17)26(24,25)22-9-11(8-20-22)21-16(23)14-4-2-3-5-19-14;21-11-5-6-15(13(17)8-11)25(23,24)21-10-12(9-19-21)20-16(22)14-4-2-3-7-18-14;1-10-2-4-12(5-3-10)23(20,21)18-7-11(6-16-18)17-14(19)13-8-22-9-15-13/h1-5,7,9-11H,6,8H2,(H,20,22);3-12H,2H2,1H3,(H,20,22);2-9H,1H3,(H,21,23);22-10H,1H3,(H,20,22);2-9H,1H3,(H,17,19)
InChIKey	NRYLEKYBFAGLDW-UHFFFAOYSA-N
XLogP	12.95
TPSA	572.93 Å²
H-Bond Donors	6
H-Bond Acceptors	38
Rotatable Bonds	25
Heavy Atoms	150
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.31
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Analyze N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 159867828) is N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is CCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1.Cc1cc(F)c(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1F.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(F)c1.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(F)c1.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cscn3)cn2)cc1.O=C(Nc1cnn(S(=O)(=O)c2ccc3c(c2)CCO3)c1)c1ccccn1.

What is the InChIKey of N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is NRYLEKYBFAGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S.C17H16N4O3S.C16H12F2N4O3S.2C16H13FN4O3S.C14H12N4O3S2/c22-17(15-3-1-2-7-18-15)20-13-10-19-21(11-13)26(23,24)14-4-5-16-12(9-14)6-8-25-16;1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16;1-10-6-13(18)15(7-12(10)17)26(24,25)22-9-11(8-20-22)21-16(23)14-4-2-3-5-19-14;2*1-11-5-6-15(13(17)8-11)25(23,24)21-10-12(9-19-21)20-16(22)14-4-2-3-7-18-14;1-10-2-4-12(5-3-10)23(20,21)18-7-11(6-16-18)17-14(19)13-8-22-9-15-13/h1-5,7,9-11H,6,8H2,(H,20,22);3-12H,2H2,1H3,(H,20,22);2-9H,1H3,(H,21,23);2*2-10H,1H3,(H,20,22);2-9H,1H3,(H,17,19).

What are the key properties of N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?

Where does this data come from?

All data for N-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;bis(N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159867828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).