N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide

C25H21ClN6O3S — CID 118213086

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide
SMILESO=c1ccccn1Cc1ccc(Nc2cncc(S(=O)(=O)NCc3[nH]nc4ccc(Cl)cc34)c2)cc1
InChIInChI=1S/C25H21ClN6O3S/c26-18-6-9-23-22(11-18)24(31-30-23)15-28-36(34,35)21-12-20(13-27-14-21)29-19-7-4-17(5-8-19)16-32-10-2-1-3-25(32)33/h1-14,28-29H,15-16H2,(H,30,31)
InChIKeyBYDWAHGJTDKCQB-UHFFFAOYSA-N
MW521.00 g/mol
LogP4.04
Rot. Bonds8

About N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide (PubChem CID 118213086) has the molecular formula C25H21ClN6O3S and a molecular weight of 521.00 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide
PubChem CID118213086
Molecular FormulaC25H21ClN6O3S
Molecular Weight521.00 g/mol
Exact Mass520.11
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide
SMILESO=c1ccccn1Cc1ccc(Nc2cncc(S(=O)(=O)NCc3[nH]nc4ccc(Cl)cc34)c2)cc1
InChIInChI=1S/C25H21ClN6O3S/c26-18-6-9-23-22(11-18)24(31-30-23)15-28-36(34,35)21-12-20(13-27-14-21)29-19-7-4-17(5-8-19)16-32-10-2-1-3-25(32)33/h1-14,28-29H,15-16H2,(H,30,31)
InChIKeyBYDWAHGJTDKCQB-UHFFFAOYSA-N
XLogP4.04
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.00
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide (CID 118213086) is N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide is O=c1ccccn1Cc1ccc(Nc2cncc(S(=O)(=O)NCc3[nH]nc4ccc(Cl)cc34)c2)cc1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide?
The InChIKey is BYDWAHGJTDKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O3S/c26-18-6-9-23-22(11-18)24(31-30-23)15-28-36(34,35)21-12-20(13-27-14-21)29-19-7-4-17(5-8-19)16-32-10-2-1-3-25(32)33/h1-14,28-29H,15-16H2,(H,30,31).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide has a molecular weight of 521.00 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-5-[4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 118213086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).