1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide

C15H19BrN4O2S — CID 90614605

IUPAC1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CBr)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C15H19BrN4O2S/c16-11-23(21,22)18-9-10-20-14-7-2-1-5-12(14)15(19-20)13-6-3-4-8-17-13/h3-4,6,8,18H,1-2,5,7,9-11H2
InChIKeyXPWKAYLFBUVOQG-UHFFFAOYSA-N
MW399.31 g/mol
LogP2.10
Rot. Bonds6

About 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide

1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide (PubChem CID 90614605) has the molecular formula C15H19BrN4O2S and a molecular weight of 399.31 g/mol. Its IUPAC name is 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
PubChem CID90614605
Molecular FormulaC15H19BrN4O2S
Molecular Weight399.31 g/mol
Exact Mass398.04
IUPAC Name1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CBr)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C15H19BrN4O2S/c16-11-23(21,22)18-9-10-20-14-7-2-1-5-12(14)15(19-20)13-6-3-4-8-17-13/h3-4,6,8,18H,1-2,5,7,9-11H2
InChIKeyXPWKAYLFBUVOQG-UHFFFAOYSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide 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

N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
4-ethyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614611
methyl 4-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethylsulfamoyl]benzoate
CID 72718545
2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614672
4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
CID 90614701
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 90614568
3-nitro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614485
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614316
1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614408

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide (CID 90614605) is 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(CBr)NCCn1nc(-c2ccccn2)c2c1CCCC2.
What is the InChIKey of 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is XPWKAYLFBUVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2S/c16-11-23(21,22)18-9-10-20-14-7-2-1-5-12(14)15(19-20)13-6-3-4-8-17-13/h3-4,6,8,18H,1-2,5,7,9-11H2.
What are the key properties of 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 399.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90614605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).