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

C14H17ClF2N4O3S — CID 134373802

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C14H17ClF2N4O3S/c15-10-5-8-7-19-20-12(8)11(6-10)13(22)14(16,17)9-1-3-21(4-2-9)25(18,23)24/h5-7,9,13,22H,1-4H2,(H,19,20)(H2,18,23,24)
InChIKeyOTPMWGSBBRGKKJ-UHFFFAOYSA-N
MW394.83 g/mol
LogP1.80
Rot. Bonds4

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

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide (PubChem CID 134373802) has the molecular formula C14H17ClF2N4O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
PubChem CID134373802
Molecular FormulaC14H17ClF2N4O3S
Molecular Weight394.83 g/mol
Exact Mass394.07
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C14H17ClF2N4O3S/c15-10-5-8-7-19-20-12(8)11(6-10)13(22)14(16,17)9-1-3-21(4-2-9)25(18,23)24/h5-7,9,13,22H,1-4H2,(H,19,20)(H2,18,23,24)
InChIKeyOTPMWGSBBRGKKJ-UHFFFAOYSA-N
XLogP1.80
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide (CID 134373802) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide is 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]piperidine-1-sulfonamide?
The InChIKey is OTPMWGSBBRGKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O3S/c15-10-5-8-7-19-20-12(8)11(6-10)13(22)14(16,17)9-1-3-21(4-2-9)25(18,23)24/h5-7,9,13,22H,1-4H2,(H,19,20)(H2,18,23,24).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide has a molecular weight of 394.83 g/mol, XLogP of 1.80, 4 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]piperidine-1-sulfonamide is sourced from PubChem (CID 134373802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).