N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide

C11H13ClFN3O2S — CID 138046750

IUPACN-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCF)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C11H13ClFN3O2S/c12-11-8-7-14-15-9(8)3-4-10(11)16-19(17,18)6-2-1-5-13/h3-4,7,16H,1-2,5-6H2,(H,14,15)
InChIKeyQNXRWAFKYMLADD-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.71
Rot. Bonds6

About N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide

N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide (PubChem CID 138046750) has the molecular formula C11H13ClFN3O2S and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide
PubChem CID138046750
Molecular FormulaC11H13ClFN3O2S
Molecular Weight305.76 g/mol
Exact Mass305.04
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCF)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C11H13ClFN3O2S/c12-11-8-7-14-15-9(8)3-4-10(11)16-19(17,18)6-2-1-5-13/h3-4,7,16H,1-2,5-6H2,(H,14,15)
InChIKeyQNXRWAFKYMLADD-UHFFFAOYSA-N
XLogP2.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-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 N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide (CID 138046750) is N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide is O=S(=O)(CCCCF)Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide?
The InChIKey is QNXRWAFKYMLADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O2S/c12-11-8-7-14-15-9(8)3-4-10(11)16-19(17,18)6-2-1-5-13/h3-4,7,16H,1-2,5-6H2,(H,14,15).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide?
N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide has a molecular weight of 305.76 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide is sourced from PubChem (CID 138046750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).