N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide

C24H18N4O6S2 — CID 14925429

IUPACN-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cn2)nc1
InChIInChI=1S/C24H18N4O6S2/c29-23(27-35(31,32)19-7-3-1-4-8-19)17-11-13-21(25-15-17)22-14-12-18(16-26-22)24(30)28-36(33,34)20-9-5-2-6-10-20/h1-16H,(H,27,29)(H,28,30)
InChIKeyBMMUDTVXEBTQCE-UHFFFAOYSA-N
MW522.56 g/mol
LogP2.38
Rot. Bonds7

About N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide

N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 14925429) has the molecular formula C24H18N4O6S2 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID14925429
Molecular FormulaC24H18N4O6S2
Molecular Weight522.56 g/mol
Exact Mass522.07
IUPAC NameN-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cn2)nc1
InChIInChI=1S/C24H18N4O6S2/c29-23(27-35(31,32)19-7-3-1-4-8-19)17-11-13-21(25-15-17)22-14-12-18(16-26-22)24(30)28-36(33,34)20-9-5-2-6-10-20/h1-16H,(H,27,29)(H,28,30)
InChIKeyBMMUDTVXEBTQCE-UHFFFAOYSA-N
XLogP2.38
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide (CID 14925429) is N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cn2)nc1.
What is the InChIKey of N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is BMMUDTVXEBTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O6S2/c29-23(27-35(31,32)19-7-3-1-4-8-19)17-11-13-21(25-15-17)22-14-12-18(16-26-22)24(30)28-36(33,34)20-9-5-2-6-10-20/h1-16H,(H,27,29)(H,28,30).
What are the key properties of N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-[5-(benzenesulfonylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 14925429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).