6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide

C14H22ClN3O2S — CID 86767944

IUPAC6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
SMILESCC1CCN(C(C)CNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-11-5-7-18(8-6-11)12(2)9-17-21(19,20)13-3-4-14(15)16-10-13/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyBKMQVECBAXZVSR-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.13
Rot. Bonds5

About 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide

6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide (PubChem CID 86767944) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
PubChem CID86767944
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
SMILESCC1CCN(C(C)CNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-11-5-7-18(8-6-11)12(2)9-17-21(19,20)13-3-4-14(15)16-10-13/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyBKMQVECBAXZVSR-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]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

Related Compounds

6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide
CID 110302582
2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 112502530
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502519
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide (CID 86767944) is 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide is CC1CCN(C(C)CNS(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is BKMQVECBAXZVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-11-5-7-18(8-6-11)12(2)9-17-21(19,20)13-3-4-14(15)16-10-13/h3-4,10-12,17H,5-9H2,1-2H3.
What are the key properties of 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 86767944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).