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

C15H19ClF2N4O3S — CID 134373440

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C15H19ClF2N4O3S/c1-19-26(24,25)22-4-2-10(3-5-22)15(17,18)14(23)12-7-11(16)6-9-8-20-21-13(9)12/h6-8,10,14,19,23H,2-5H2,1H3,(H,20,21)
InChIKeyNSYYKHPPPFIHGC-UHFFFAOYSA-N
MW408.86 g/mol
LogP2.06
Rot. Bonds5

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

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide (PubChem CID 134373440) has the molecular formula C15H19ClF2N4O3S and a molecular weight of 408.86 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide
PubChem CID134373440
Molecular FormulaC15H19ClF2N4O3S
Molecular Weight408.86 g/mol
Exact Mass408.08
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C15H19ClF2N4O3S/c1-19-26(24,25)22-4-2-10(3-5-22)15(17,18)14(23)12-7-11(16)6-9-8-20-21-13(9)12/h6-8,10,14,19,23H,2-5H2,1H3,(H,20,21)
InChIKeyNSYYKHPPPFIHGC-UHFFFAOYSA-N
XLogP2.06
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 52.06
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-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide (CID 134373440) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide is CNS(=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-methylpiperidine-1-sulfonamide?
The InChIKey is NSYYKHPPPFIHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N4O3S/c1-19-26(24,25)22-4-2-10(3-5-22)15(17,18)14(23)12-7-11(16)6-9-8-20-21-13(9)12/h6-8,10,14,19,23H,2-5H2,1H3,(H,20,21).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 408.86 g/mol, XLogP of 2.06, 5 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-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 134373440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).