N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide

C109H104N14O13S4 — CID 91506824

IUPACN-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(=O)CCc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C28H27N3O3S.2C27H26N4O3S.C27H25N3O4S/c1-22(32)10-11-23-6-4-7-25(18-23)21-31(35(33,34)27-8-5-16-29-19-27)20-24-12-14-26(15-13-24)28-9-2-3-17-30-28;1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-21(32)8-9-22-5-4-6-24(17-22)20-31(35(33,34)27-7-2-3-14-30-27)19-23-10-12-25(13-11-23)26-18-28-15-16-29-26;1-21(31)20-34-25-7-4-6-23(16-25)19-30(35(32,33)26-8-5-14-28-17-26)18-22-10-12-24(13-11-22)27-9-2-3-15-29-27/h2-9,12-19H,10-11,20-21H2,1H3;2-8,11-18H,9-10,19-20H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;2-17H,18-20H2,1H3
InChIKeySYKMYRCPMGBMBB-UHFFFAOYSA-N
MW1946.38 g/mol
LogP18.46
Rot. Bonds40

About N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide

N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 91506824) has the molecular formula C109H104N14O13S4 and a molecular weight of 1946.38 g/mol. Its IUPAC name is N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID91506824
Molecular FormulaC109H104N14O13S4
Molecular Weight1946.38 g/mol
Exact Mass1944.68
IUPAC NameN-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(=O)CCc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C28H27N3O3S.2C27H26N4O3S.C27H25N3O4S/c1-22(32)10-11-23-6-4-7-25(18-23)21-31(35(33,34)27-8-5-16-29-19-27)20-24-12-14-26(15-13-24)28-9-2-3-17-30-28;1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-21(32)8-9-22-5-4-6-24(17-22)20-31(35(33,34)27-7-2-3-14-30-27)19-23-10-12-25(13-11-23)26-18-28-15-16-29-26;1-21(31)20-34-25-7-4-6-23(16-25)19-30(35(32,33)26-8-5-14-28-17-26)18-22-10-12-24(13-11-22)27-9-2-3-15-29-27/h2-9,12-19H,10-11,20-21H2,1H3;2-8,11-18H,9-10,19-20H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;2-17H,18-20H2,1H3
InChIKeySYKMYRCPMGBMBB-UHFFFAOYSA-N
XLogP18.46
TPSA355.93 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001946.38
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
CID 90746317
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 157161305
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158378219
N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158402863
N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)
CID 159464242
3-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-imidazol-3-ium-5-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
CID 160016001
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 160068872
2-(3-Methoxyphenyl)-7-(4-methylphenyl)-4-phenylpyrido[3,2-d]pyrimidine;2-(3-methoxyphenyl)-7-(4-methylsulfonylphenyl)-4-phenylpyrido[3,2-d]pyrimidine;2-(3-methoxyphenyl)-7-naphthalen-2-yl-4-phenylpyrido[3,2-d]pyrimidine;1-[4-[2-(3-methoxyphenyl)-4-phenylpyrido[3,2-d]pyrimidin-7-yl]phenyl]ethanone
CID 160357876
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 161504054
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 161973055

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide (CID 91506824) is N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide is CC(=O)CCc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is SYKMYRCPMGBMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S.2C27H26N4O3S.C27H25N3O4S/c1-22(32)10-11-23-6-4-7-25(18-23)21-31(35(33,34)27-8-5-16-29-19-27)20-24-12-14-26(15-13-24)28-9-2-3-17-30-28;1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-21(32)8-9-22-5-4-6-24(17-22)20-31(35(33,34)27-7-2-3-14-30-27)19-23-10-12-25(13-11-23)26-18-28-15-16-29-26;1-21(31)20-34-25-7-4-6-23(16-25)19-30(35(32,33)26-8-5-14-28-17-26)18-22-10-12-24(13-11-22)27-9-2-3-15-29-27/h2-9,12-19H,10-11,20-21H2,1H3;2-8,11-18H,9-10,19-20H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;2-17H,18-20H2,1H3.
What are the key properties of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 1946.38 g/mol, XLogP of 18.46, 40 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91506824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).