5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide

C20H14ClFN4O3S — CID 135357056

IUPAC5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(-c3cccnc3)c3ccccc32)cc1F
InChIInChI=1S/C20H14ClFN4O3S/c1-30(28,29)25-20(27)14-9-15(21)18(10-16(14)22)26-17-7-3-2-6-13(17)19(24-26)12-5-4-8-23-11-12/h2-11H,1H3,(H,25,27)
InChIKeyOPAVVXAUQBNXTR-UHFFFAOYSA-N
MW444.88 g/mol
LogP3.57
Rot. Bonds4

About 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide

5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide (PubChem CID 135357056) has the molecular formula C20H14ClFN4O3S and a molecular weight of 444.88 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide
PubChem CID135357056
Molecular FormulaC20H14ClFN4O3S
Molecular Weight444.88 g/mol
Exact Mass444.05
IUPAC Name5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(-c3cccnc3)c3ccccc32)cc1F
InChIInChI=1S/C20H14ClFN4O3S/c1-30(28,29)25-20(27)14-9-15(21)18(10-16(14)22)26-17-7-3-2-6-13(17)19(24-26)12-5-4-8-23-11-12/h2-11H,1H3,(H,25,27)
InChIKeyOPAVVXAUQBNXTR-UHFFFAOYSA-N
XLogP3.57
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide (CID 135357056) is 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(-c3cccnc3)c3ccccc32)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide?
The InChIKey is OPAVVXAUQBNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O3S/c1-30(28,29)25-20(27)14-9-15(21)18(10-16(14)22)26-17-7-3-2-6-13(17)19(24-26)12-5-4-8-23-11-12/h2-11H,1H3,(H,25,27).
What are the key properties of 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide?
5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide has a molecular weight of 444.88 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methylsulfonyl-4-(3-pyridin-3-ylindazol-1-yl)benzamide is sourced from PubChem (CID 135357056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).