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

C14H17ClF2N4O3S — CID 140857285

IUPACN-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NC(F)(F)C(O)c1cc(Cl)cc2cn[nH]c12)N1CCCCC1
InChIInChI=1S/C14H17ClF2N4O3S/c15-10-6-9-8-18-19-12(9)11(7-10)13(22)14(16,17)20-25(23,24)21-4-2-1-3-5-21/h6-8,13,20,22H,1-5H2,(H,18,19)
InChIKeyDXCAFVFVOBLGGM-UHFFFAOYSA-N
MW394.83 g/mol
LogP2.16
Rot. Bonds5

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

N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide (PubChem CID 140857285) has the molecular formula C14H17ClF2N4O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
PubChem CID140857285
Molecular FormulaC14H17ClF2N4O3S
Molecular Weight394.83 g/mol
Exact Mass394.07
IUPAC NameN-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NC(F)(F)C(O)c1cc(Cl)cc2cn[nH]c12)N1CCCCC1
InChIInChI=1S/C14H17ClF2N4O3S/c15-10-6-9-8-18-19-12(9)11(7-10)13(22)14(16,17)20-25(23,24)21-4-2-1-3-5-21/h6-8,13,20,22H,1-5H2,(H,18,19)
InChIKeyDXCAFVFVOBLGGM-UHFFFAOYSA-N
XLogP2.16
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[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

Related Compounds

1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
CID 134410251
N-[(2S)-2-[(2R)-4-(5-chloro-1H-indazol-7-yl)-3,3-difluoro-4-hydroxybutan-2-yl]pent-4-enyl]methanesulfonamide
CID 142311953
2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 139528534
1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol
CID 134373913
1-[(1R)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]cycloheptyl]-1-fluorourea
CID 142311993
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 134373971
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyanomethyl)piperidine-1-carboxamide
CID 142311847
(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 134373521
2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol
CID 159640731
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 134373824
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide
CID 158573725
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 134373872

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide (CID 140857285) is N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide is O=S(=O)(NC(F)(F)C(O)c1cc(Cl)cc2cn[nH]c12)N1CCCCC1.
What is the InChIKey of N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
The InChIKey is DXCAFVFVOBLGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O3S/c15-10-6-9-8-18-19-12(9)11(7-10)13(22)14(16,17)20-25(23,24)21-4-2-1-3-5-21/h6-8,13,20,22H,1-5H2,(H,18,19).
What are the key properties of N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide?
N-[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 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 140857285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).