N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H15ClN2O2S — CID 26969819

IUPACN-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15ClN2O2S/c16-15-14(6-3-9-17-15)18-21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h3,6-10,18H,1-2,4-5H2
InChIKeyKRNKMTCZMYNSGE-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.41
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 26969819) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID26969819
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15ClN2O2S/c16-15-14(6-3-9-17-15)18-21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h3,6-10,18H,1-2,4-5H2
InChIKeyKRNKMTCZMYNSGE-UHFFFAOYSA-N
XLogP3.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-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-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 26969819) is N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KRNKMTCZMYNSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-15-14(6-3-9-17-15)18-21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h3,6-10,18H,1-2,4-5H2.
What are the key properties of N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 26969819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).