5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride

C10H17Cl2N3O2S — CID 120716386

IUPAC5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cncc(Cl)c1.Cl
InChIInChI=1S/C10H16ClN3O2S.ClH/c1-2-3-12-4-5-14-17(15,16)10-6-9(11)7-13-8-10;/h6-8,12,14H,2-5H2,1H3;1H
InChIKeyCWVSAKIPQDXNFO-UHFFFAOYSA-N
MW314.24 g/mol
LogP1.43
Rot. Bonds7

About 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride

5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120716386) has the molecular formula C10H17Cl2N3O2S and a molecular weight of 314.24 g/mol. Its IUPAC name is 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID120716386
Molecular FormulaC10H17Cl2N3O2S
Molecular Weight314.24 g/mol
Exact Mass313.04
IUPAC Name5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cncc(Cl)c1.Cl
InChIInChI=1S/C10H16ClN3O2S.ClH/c1-2-3-12-4-5-14-17(15,16)10-6-9(11)7-13-8-10;/h6-8,12,14H,2-5H2,1H3;1H
InChIKeyCWVSAKIPQDXNFO-UHFFFAOYSA-N
XLogP1.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride 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

2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716096
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716186
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120716049
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715836
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride (CID 120716386) is 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cncc(Cl)c1.Cl.
What is the InChIKey of 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is CWVSAKIPQDXNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S.ClH/c1-2-3-12-4-5-14-17(15,16)10-6-9(11)7-13-8-10;/h6-8,12,14H,2-5H2,1H3;1H.
What are the key properties of 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 314.24 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120716386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).