N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide

C28H24N6O4S — CID 156767709

IUPACN-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide
SMILESCOc1ncc(-c2ccc3nncc(Nc4ccc(NC(C)=O)cc4)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H24N6O4S/c1-18(35)31-21-9-11-22(12-10-21)32-27-17-30-33-25-13-8-19(14-24(25)27)20-15-26(28(38-2)29-16-20)34-39(36,37)23-6-4-3-5-7-23/h3-17,34H,1-2H3,(H,31,35)(H,32,33)
InChIKeySKOAZLIEEAZRIK-UHFFFAOYSA-N
MW540.61 g/mol
LogP5.20
Rot. Bonds8

About N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide

N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide (PubChem CID 156767709) has the molecular formula C28H24N6O4S and a molecular weight of 540.61 g/mol. Its IUPAC name is N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide
PubChem CID156767709
Molecular FormulaC28H24N6O4S
Molecular Weight540.61 g/mol
Exact Mass540.16
IUPAC NameN-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide
SMILESCOc1ncc(-c2ccc3nncc(Nc4ccc(NC(C)=O)cc4)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H24N6O4S/c1-18(35)31-21-9-11-22(12-10-21)32-27-17-30-33-25-13-8-19(14-24(25)27)20-15-26(28(38-2)29-16-20)34-39(36,37)23-6-4-3-5-7-23/h3-17,34H,1-2H3,(H,31,35)(H,32,33)
InChIKeySKOAZLIEEAZRIK-UHFFFAOYSA-N
XLogP5.20
TPSA135.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.61
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide (CID 156767709) is N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide is COc1ncc(-c2ccc3nncc(Nc4ccc(NC(C)=O)cc4)c3c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide?
The InChIKey is SKOAZLIEEAZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4S/c1-18(35)31-21-9-11-22(12-10-21)32-27-17-30-33-25-13-8-19(14-24(25)27)20-15-26(28(38-2)29-16-20)34-39(36,37)23-6-4-3-5-7-23/h3-17,34H,1-2H3,(H,31,35)(H,32,33).
What are the key properties of N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide has a molecular weight of 540.61 g/mol, XLogP of 5.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 156767709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).