N-(1-methylindazol-6-yl)butane-1-sulfonamide

C12H17N3O2S — CID 70689295

IUPACN-(1-methylindazol-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyDDWBORAVXJGWPK-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.12
Rot. Bonds5

About N-(1-methylindazol-6-yl)butane-1-sulfonamide

N-(1-methylindazol-6-yl)butane-1-sulfonamide (PubChem CID 70689295) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(1-methylindazol-6-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-6-yl)butane-1-sulfonamide
PubChem CID70689295
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(1-methylindazol-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyDDWBORAVXJGWPK-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylindazol-6-yl)butane-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-(1-methylindazol-6-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-methylindazol-6-yl)butane-1-sulfonamide (CID 70689295) is N-(1-methylindazol-6-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-6-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-methylindazol-6-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2cnn(C)c2c1.
What is the InChIKey of N-(1-methylindazol-6-yl)butane-1-sulfonamide?
The InChIKey is DDWBORAVXJGWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of N-(1-methylindazol-6-yl)butane-1-sulfonamide?
N-(1-methylindazol-6-yl)butane-1-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-6-yl)butane-1-sulfonamide is sourced from PubChem (CID 70689295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).