N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide

C48H35N7O7S2 — CID 143960272

IUPACN-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(-c3ccc(-c4ccccc4)c(NS(=O)(=O)c4ccc(NC(=O)c5ccccn5)cc4)c3)cn2)cc1)c1ccccn1
InChIInChI=1S/C48H35N7O7S2/c56-46(40-12-4-5-13-41(40)54-63(59,60)37-22-18-35(19-23-37)52-47(57)43-14-6-8-28-49-43)42-27-17-34(31-51-42)33-16-26-39(32-10-2-1-3-11-32)45(30-33)55-64(61,62)38-24-20-36(21-25-38)53-48(58)44-15-7-9-29-50-44/h1-31,54-55H,(H,52,57)(H,53,58)
InChIKeyRRHFBSCOPIAGEF-UHFFFAOYSA-N
MW885.98 g/mol
LogP8.54
Rot. Bonds14

About N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide

N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 143960272) has the molecular formula C48H35N7O7S2 and a molecular weight of 885.98 g/mol. Its IUPAC name is N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
PubChem CID143960272
Molecular FormulaC48H35N7O7S2
Molecular Weight885.98 g/mol
Exact Mass885.20
IUPAC NameN-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(-c3ccc(-c4ccccc4)c(NS(=O)(=O)c4ccc(NC(=O)c5ccccn5)cc4)c3)cn2)cc1)c1ccccn1
InChIInChI=1S/C48H35N7O7S2/c56-46(40-12-4-5-13-41(40)54-63(59,60)37-22-18-35(19-23-37)52-47(57)43-14-6-8-28-49-43)42-27-17-34(31-51-42)33-16-26-39(32-10-2-1-3-11-32)45(30-33)55-64(61,62)38-24-20-36(21-25-38)53-48(58)44-15-7-9-29-50-44/h1-31,54-55H,(H,52,57)(H,53,58)
InChIKeyRRHFBSCOPIAGEF-UHFFFAOYSA-N
XLogP8.54
TPSA206.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.98
LogP ≤ 58.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

Quinolinium, 1-butyl-6-((p-(p-((1-butylpyridinium-3-yl)formamido)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
CID 3052425
N-{4-[({2-[(5-Fluoropyridin-2-yl)carbonyl]phenyl}amino)sulfonyl]phenyl}acetamide
CID 24895184
N-(4-{[2-(Pyridine-2-carbonyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895354
3-cyclohexyl-1-methyl-2-(2-pyridyl)-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide
CID 54587654
N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]phenyl]phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669828
N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide
CID 59672648
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
CID 205726
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
CID 205728
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
CID 205730
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-pentyl-, di-p-toluenesulfonate
CID 205732
Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)formamido)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
CID 3052423
Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-ethyl-, ditosylate
CID 161249

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide (CID 143960272) is N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(-c3ccc(-c4ccccc4)c(NS(=O)(=O)c4ccc(NC(=O)c5ccccn5)cc4)c3)cn2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is RRHFBSCOPIAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N7O7S2/c56-46(40-12-4-5-13-41(40)54-63(59,60)37-22-18-35(19-23-37)52-47(57)43-14-6-8-28-49-43)42-27-17-34(31-51-42)33-16-26-39(32-10-2-1-3-11-32)45(30-33)55-64(61,62)38-24-20-36(21-25-38)53-48(58)44-15-7-9-29-50-44/h1-31,54-55H,(H,52,57)(H,53,58).
What are the key properties of N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 885.98 g/mol, XLogP of 8.54, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 143960272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).