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

C10H18Cl2N4O2S — CID 120716096

IUPAC2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cc(Cl)cnc1N.Cl
InChIInChI=1S/C10H17ClN4O2S.ClH/c1-2-3-13-4-5-15-18(16,17)9-6-8(11)7-14-10(9)12;/h6-7,13,15H,2-5H2,1H3,(H2,12,14);1H
InChIKeyCTSFBKSWVCOKLR-UHFFFAOYSA-N
MW329.25 g/mol
LogP1.02
Rot. Bonds7

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

2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120716096) has the molecular formula C10H18Cl2N4O2S and a molecular weight of 329.25 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID120716096
Molecular FormulaC10H18Cl2N4O2S
Molecular Weight329.25 g/mol
Exact Mass328.05
IUPAC Name2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cc(Cl)cnc1N.Cl
InChIInChI=1S/C10H17ClN4O2S.ClH/c1-2-3-13-4-5-15-18(16,17)9-6-8(11)7-14-10(9)12;/h6-7,13,15H,2-5H2,1H3,(H2,12,14);1H
InChIKeyCTSFBKSWVCOKLR-UHFFFAOYSA-N
XLogP1.02
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716386
2-amino-5-chloro-N-[2-(methylamino)propyl]pyridine-3-sulfonamide
CID 120824575
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 71967708
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
CID 120716467
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884
ethyl (3S)-4-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-hydroxy-3-methylbutanoate
CID 97350431
2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
CID 97239897
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide
CID 124702622

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride (CID 120716096) is 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cc(Cl)cnc1N.Cl.
What is the InChIKey of 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is CTSFBKSWVCOKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S.ClH/c1-2-3-13-4-5-15-18(16,17)9-6-8(11)7-14-10(9)12;/h6-7,13,15H,2-5H2,1H3,(H2,12,14);1H.
What are the key properties of 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride?
2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 329.25 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120716096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).