N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide

C25H20N4O6S3 — CID 5135292

IUPACN-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)nc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1C#N
InChIInChI=1S/C25H20N4O6S3/c1-19-17-24(28-36(30,31)20-11-5-2-6-12-20)27-25(23(19)18-26)29(37(32,33)21-13-7-3-8-14-21)38(34,35)22-15-9-4-10-16-22/h2-17H,1H3,(H,27,28)
InChIKeyNVAWUENSGKOTGJ-UHFFFAOYSA-N
MW568.66 g/mol
LogP3.65
Rot. Bonds8

About N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide

N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide (PubChem CID 5135292) has the molecular formula C25H20N4O6S3 and a molecular weight of 568.66 g/mol. Its IUPAC name is N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide
PubChem CID5135292
Molecular FormulaC25H20N4O6S3
Molecular Weight568.66 g/mol
Exact Mass568.05
IUPAC NameN-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)nc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1C#N
InChIInChI=1S/C25H20N4O6S3/c1-19-17-24(28-36(30,31)20-11-5-2-6-12-20)27-25(23(19)18-26)29(37(32,33)21-13-7-3-8-14-21)38(34,35)22-15-9-4-10-16-22/h2-17H,1H3,(H,27,28)
InChIKeyNVAWUENSGKOTGJ-UHFFFAOYSA-N
XLogP3.65
TPSA154.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.66
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

PF-915275
CID 23725123
Biphenyl-4-sulfonic acid (6-methyl-pyridin-2-yl)-amide
CID 4982676
N-(Pyridin-2-yl) arylsulfonamide, 28
CID 12002968
N-(Pyridin-2-yl) arylsulfonamide, 21
CID 44143310
N-(Pyridin-2-yl) arylsulfonamide, 22
CID 44143311
N-(Pyridin-2-yl) arylsulfonamide, 23
CID 44143312
N-(Pyridin-2-yl) arylsulfonamide, 24
CID 44143313
N-(Pyridin-2-yl) arylsulfonamide, 25
CID 44143314
N-(Pyridin-2-yl) arylsulfonamide, 27
CID 44143315
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
4'-Cyano-biphenyl-4-sulfonic acid (6-amino-4-methyl-pyridin-2-yl)-amide
CID 71579868
4-(4-cyanophenyl)-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
CID 44583233

Frequently Asked Questions

What is the IUPAC name of N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide (CID 5135292) is N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2)nc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide?
The InChIKey is NVAWUENSGKOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O6S3/c1-19-17-24(28-36(30,31)20-11-5-2-6-12-20)27-25(23(19)18-26)29(37(32,33)21-13-7-3-8-14-21)38(34,35)22-15-9-4-10-16-22/h2-17H,1H3,(H,27,28).
What are the key properties of N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide?
N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide has a molecular weight of 568.66 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[bis(benzenesulfonyl)amino]-5-cyano-4-methyl-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 5135292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).