N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide

C8H12ClN3O2S — CID 174652261

IUPACN-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N)cnc1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-2-3-15(13,14)12-7-4-6(10)5-11-8(7)9/h4-5,12H,2-3,10H2,1H3
InChIKeyXOVDDBAFABNTPV-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.47
Rot. Bonds4

About N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide

N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide (PubChem CID 174652261) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide
PubChem CID174652261
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC NameN-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N)cnc1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-2-3-15(13,14)12-7-4-6(10)5-11-8(7)9/h4-5,12H,2-3,10H2,1H3
InChIKeyXOVDDBAFABNTPV-UHFFFAOYSA-N
XLogP1.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine
CID 71481006
5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162649363
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide
CID 121427558
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 75538658
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide?
The IUPAC name of N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide (CID 174652261) is N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(N)cnc1Cl.
What is the InChIKey of N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide?
The InChIKey is XOVDDBAFABNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-2-3-15(13,14)12-7-4-6(10)5-11-8(7)9/h4-5,12H,2-3,10H2,1H3.
What are the key properties of N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide?
N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 174652261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).