2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide

C19H13Cl3N4O3S — CID 68833285

IUPAC2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide
SMILESO=c1[nH]n(Cc2ccccn2)c2cc(Cl)c(NS(=O)(=O)c3cccc(Cl)c3Cl)cc12
InChIInChI=1S/C19H13Cl3N4O3S/c20-13-5-3-6-17(18(13)22)30(28,29)25-15-8-12-16(9-14(15)21)26(24-19(12)27)10-11-4-1-2-7-23-11/h1-9,25H,10H2,(H,24,27)
InChIKeyFNAWCKIIAGWGBQ-UHFFFAOYSA-N
MW483.76 g/mol
LogP4.53
Rot. Bonds5

About 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide

2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 68833285) has the molecular formula C19H13Cl3N4O3S and a molecular weight of 483.76 g/mol. Its IUPAC name is 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide
PubChem CID68833285
Molecular FormulaC19H13Cl3N4O3S
Molecular Weight483.76 g/mol
Exact Mass481.98
IUPAC Name2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide
SMILESO=c1[nH]n(Cc2ccccn2)c2cc(Cl)c(NS(=O)(=O)c3cccc(Cl)c3Cl)cc12
InChIInChI=1S/C19H13Cl3N4O3S/c20-13-5-3-6-17(18(13)22)30(28,29)25-15-8-12-16(9-14(15)21)26(24-19(12)27)10-11-4-1-2-7-23-11/h1-9,25H,10H2,(H,24,27)
InChIKeyFNAWCKIIAGWGBQ-UHFFFAOYSA-N
XLogP4.53
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.76
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide (CID 68833285) is 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide is O=c1[nH]n(Cc2ccccn2)c2cc(Cl)c(NS(=O)(=O)c3cccc(Cl)c3Cl)cc12.
What is the InChIKey of 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is FNAWCKIIAGWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N4O3S/c20-13-5-3-6-17(18(13)22)30(28,29)25-15-8-12-16(9-14(15)21)26(24-19(12)27)10-11-4-1-2-7-23-11/h1-9,25H,10H2,(H,24,27).
What are the key properties of 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide?
2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 483.76 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 68833285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).