4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide

C86H76N14O10S3 — CID 157449338

IUPAC4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2cccc(-c3ccc(S(=O)(=O)CCCO)cc3)n2)cc1.NC(=O)c1ccc(Nc2cccc(-c3ccc(SCCCO)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C23H18N4O3S.C21H16N4O.C21H21N3O4S.C21H21N3O2S/c24-22(28)17-6-10-18(11-7-17)26-23-25-15-14-21(27-23)16-8-12-20(13-9-16)31(29,30)19-4-2-1-3-5-19;22-20(26)15-7-9-18(10-8-15)24-21-23-12-11-19(25-21)17-6-5-14-3-1-2-4-16(14)13-17;22-21(26)16-5-9-17(10-6-16)23-20-4-1-3-19(24-20)15-7-11-18(12-8-15)29(27,28)14-2-13-25;22-21(26)16-5-9-17(10-6-16)23-20-4-1-3-19(24-20)15-7-11-18(12-8-15)27-14-2-13-25/h1-15H,(H2,24,28)(H,25,26,27);1-13H,(H2,22,26)(H,23,24,25);1,3-12,25H,2,13-14H2,(H2,22,26)(H,23,24);1,3-12,25H,2,13-14H2,(H2,22,26)(H,23,24)
InChIKeyBSPQZNSACFPNGX-UHFFFAOYSA-N
MW1561.84 g/mol
LogP14.77
Rot. Bonds26

About 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide

4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 157449338) has the molecular formula C86H76N14O10S3 and a molecular weight of 1561.84 g/mol. Its IUPAC name is 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide
PubChem CID157449338
Molecular FormulaC86H76N14O10S3
Molecular Weight1561.84 g/mol
Exact Mass1560.50
IUPAC Name4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2cccc(-c3ccc(S(=O)(=O)CCCO)cc3)n2)cc1.NC(=O)c1ccc(Nc2cccc(-c3ccc(SCCCO)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C23H18N4O3S.C21H16N4O.C21H21N3O4S.C21H21N3O2S/c24-22(28)17-6-10-18(11-7-17)26-23-25-15-14-21(27-23)16-8-12-20(13-9-16)31(29,30)19-4-2-1-3-5-19;22-20(26)15-7-9-18(10-8-15)24-21-23-12-11-19(25-21)17-6-5-14-3-1-2-4-16(14)13-17;22-21(26)16-5-9-17(10-6-16)23-20-4-1-3-19(24-20)15-7-11-18(12-8-15)29(27,28)14-2-13-25;22-21(26)16-5-9-17(10-6-16)23-20-4-1-3-19(24-20)15-7-11-18(12-8-15)27-14-2-13-25/h1-15H,(H2,24,28)(H,25,26,27);1-13H,(H2,22,26)(H,23,24,25);1,3-12,25H,2,13-14H2,(H2,22,26)(H,23,24);1,3-12,25H,2,13-14H2,(H2,22,26)(H,23,24)
InChIKeyBSPQZNSACFPNGX-UHFFFAOYSA-N
XLogP14.77
TPSA406.56 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.84
LogP ≤ 514.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide (CID 157449338) is 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2cccc(-c3ccc(S(=O)(=O)CCCO)cc3)n2)cc1.NC(=O)c1ccc(Nc2cccc(-c3ccc(SCCCO)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is BSPQZNSACFPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S.C21H16N4O.C21H21N3O4S.C21H21N3O2S/c24-22(28)17-6-10-18(11-7-17)26-23-25-15-14-21(27-23)16-8-12-20(13-9-16)31(29,30)19-4-2-1-3-5-19;22-20(26)15-7-9-18(10-8-15)24-21-23-12-11-19(25-21)17-6-5-14-3-1-2-4-16(14)13-17;22-21(26)16-5-9-17(10-6-16)23-20-4-1-3-19(24-20)15-7-11-18(12-8-15)29(27,28)14-2-13-25;22-21(26)16-5-9-17(10-6-16)23-20-4-1-3-19(24-20)15-7-11-18(12-8-15)27-14-2-13-25/h1-15H,(H2,24,28)(H,25,26,27);1-13H,(H2,22,26)(H,23,24,25);1,3-12,25H,2,13-14H2,(H2,22,26)(H,23,24);1,3-12,25H,2,13-14H2,(H2,22,26)(H,23,24).
What are the key properties of 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide?
4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 1561.84 g/mol, XLogP of 14.77, 26 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfanyl)phenyl]-2-pyridinyl]amino]benzamide;4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide;4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 157449338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).