N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

C18H27N3O2S — CID 53174159

IUPACN-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)Cn1cc(S(=O)(=O)NC2CCCCCC2)c2cccnc21
InChIInChI=1S/C18H27N3O2S/c1-14(2)12-21-13-17(16-10-7-11-19-18(16)21)24(22,23)20-15-8-5-3-4-6-9-15/h7,10-11,13-15,20H,3-6,8-9,12H2,1-2H3
InChIKeyXLOBNMYYZGVWNM-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.69
Rot. Bonds5

About N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174159) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174159
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)Cn1cc(S(=O)(=O)NC2CCCCCC2)c2cccnc21
InChIInChI=1S/C18H27N3O2S/c1-14(2)12-21-13-17(16-10-7-11-19-18(16)21)24(22,23)20-15-8-5-3-4-6-9-15/h7,10-11,13-15,20H,3-6,8-9,12H2,1-2H3
InChIKeyXLOBNMYYZGVWNM-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-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-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174159) is N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(C)Cn1cc(S(=O)(=O)NC2CCCCCC2)c2cccnc21.
What is the InChIKey of N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is XLOBNMYYZGVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14(2)12-21-13-17(16-10-7-11-19-18(16)21)24(22,23)20-15-8-5-3-4-6-9-15/h7,10-11,13-15,20H,3-6,8-9,12H2,1-2H3.
What are the key properties of N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 349.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).