3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide

C63H60N14O6S2 — CID 87243984

IUPAC3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1
InChIInChI=1S/C32H31N7O3S.C31H29N7O3S/c1-43(41,42)37-28-6-2-5-26(18-28)32(40)35-27-10-7-24(8-11-27)25-9-12-29-30(19-25)36-31(21-34-29)39-16-14-38(15-17-39)22-23-4-3-13-33-20-23;32-42(40,41)27-5-1-4-25(17-27)31(39)35-26-9-6-23(7-10-26)24-8-11-28-29(18-24)36-30(20-34-28)38-15-13-37(14-16-38)21-22-3-2-12-33-19-22/h2-13,18-21,37H,14-17,22H2,1H3,(H,35,40);1-12,17-20H,13-16,21H2,(H,35,39)(H2,32,40,41)
InChIKeyOKIGYXYMBYXAFI-UHFFFAOYSA-N
MW1173.40 g/mol
LogP8.55
Rot. Bonds15

About 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide

3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide (PubChem CID 87243984) has the molecular formula C63H60N14O6S2 and a molecular weight of 1173.40 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide
PubChem CID87243984
Molecular FormulaC63H60N14O6S2
Molecular Weight1173.40 g/mol
Exact Mass1172.43
IUPAC Name3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1
InChIInChI=1S/C32H31N7O3S.C31H29N7O3S/c1-43(41,42)37-28-6-2-5-26(18-28)32(40)35-27-10-7-24(8-11-27)25-9-12-29-30(19-25)36-31(21-34-29)39-16-14-38(15-17-39)22-23-4-3-13-33-20-23;32-42(40,41)27-5-1-4-25(17-27)31(39)35-26-9-6-23(7-10-26)24-8-11-28-29(18-24)36-30(20-34-28)38-15-13-37(14-16-38)21-22-3-2-12-33-19-22/h2-13,18-21,37H,14-17,22H2,1H3,(H,35,40);1-12,17-20H,13-16,21H2,(H,35,39)(H2,32,40,41)
InChIKeyOKIGYXYMBYXAFI-UHFFFAOYSA-N
XLogP8.55
TPSA254.83 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.40
LogP ≤ 58.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide (CID 87243984) is 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide?
The InChIKey is OKIGYXYMBYXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O3S.C31H29N7O3S/c1-43(41,42)37-28-6-2-5-26(18-28)32(40)35-27-10-7-24(8-11-27)25-9-12-29-30(19-25)36-31(21-34-29)39-16-14-38(15-17-39)22-23-4-3-13-33-20-23;32-42(40,41)27-5-1-4-25(17-27)31(39)35-26-9-6-23(7-10-26)24-8-11-28-29(18-24)36-30(20-34-28)38-15-13-37(14-16-38)21-22-3-2-12-33-19-22/h2-13,18-21,37H,14-17,22H2,1H3,(H,35,40);1-12,17-20H,13-16,21H2,(H,35,39)(H2,32,40,41).
What are the key properties of 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide?
3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide has a molecular weight of 1173.40 g/mol, XLogP of 8.55, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]benzamide;N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 87243984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).