3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide

C10H12ClN3O2S — CID 30772848

IUPAC3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C10H12ClN3O2S/c11-4-1-5-17(15,16)14-9-3-2-8-7-12-13-10(8)6-9/h2-3,6-7,14H,1,4-5H2,(H,12,13)
InChIKeyXFXKTZOAOUDBMG-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.93
Rot. Bonds5

About 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide

3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide (PubChem CID 30772848) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide
PubChem CID30772848
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.74 g/mol
Exact Mass273.03
IUPAC Name3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C10H12ClN3O2S/c11-4-1-5-17(15,16)14-9-3-2-8-7-12-13-10(8)6-9/h2-3,6-7,14H,1,4-5H2,(H,12,13)
InChIKeyXFXKTZOAOUDBMG-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
N-(1H-indazol-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 97242161
N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
CID 110757658
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
CID 43654045
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
CID 70645024
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide (CID 30772848) is 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide?
The InChIKey is XFXKTZOAOUDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c11-4-1-5-17(15,16)14-9-3-2-8-7-12-13-10(8)6-9/h2-3,6-7,14H,1,4-5H2,(H,12,13).
What are the key properties of 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide?
3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide has a molecular weight of 273.74 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide is sourced from PubChem (CID 30772848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).