4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide

C17H23ClF2N4O3S — CID 134373437

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C17H23ClF2N4O3S/c1-10(2)23-28(26,27)24-5-3-12(4-6-24)17(19,20)16(25)14-8-13(18)7-11-9-21-22-15(11)14/h7-10,12,16,23,25H,3-6H2,1-2H3,(H,21,22)
InChIKeyYIXCQOQFZBRMBL-UHFFFAOYSA-N
MW436.91 g/mol
LogP2.84
Rot. Bonds6

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 134373437) has the molecular formula C17H23ClF2N4O3S and a molecular weight of 436.91 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID134373437
Molecular FormulaC17H23ClF2N4O3S
Molecular Weight436.91 g/mol
Exact Mass436.11
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C17H23ClF2N4O3S/c1-10(2)23-28(26,27)24-5-3-12(4-6-24)17(19,20)16(25)14-8-13(18)7-11-9-21-22-15(11)14/h7-10,12,16,23,25H,3-6H2,1-2H3,(H,21,22)
InChIKeyYIXCQOQFZBRMBL-UHFFFAOYSA-N
XLogP2.84
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.91
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide (CID 134373437) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is YIXCQOQFZBRMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF2N4O3S/c1-10(2)23-28(26,27)24-5-3-12(4-6-24)17(19,20)16(25)14-8-13(18)7-11-9-21-22-15(11)14/h7-10,12,16,23,25H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 436.91 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 134373437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).