2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

C12H14ClN3O2S2 — CID 115679627

IUPAC2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCCc1cnc(C(C)NS(=O)(=O)c2cccnc2Cl)s1
InChIInChI=1S/C12H14ClN3O2S2/c1-3-9-7-15-12(19-9)8(2)16-20(17,18)10-5-4-6-14-11(10)13/h4-8,16H,3H2,1-2H3
InChIKeyHXPXIUPJQSYDRB-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 115679627) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID115679627
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCCc1cnc(C(C)NS(=O)(=O)c2cccnc2Cl)s1
InChIInChI=1S/C12H14ClN3O2S2/c1-3-9-7-15-12(19-9)8(2)16-20(17,18)10-5-4-6-14-11(10)13/h4-8,16H,3H2,1-2H3
InChIKeyHXPXIUPJQSYDRB-UHFFFAOYSA-N
XLogP2.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61041711
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 97331125
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61051043
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115641407
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
CID 99846943
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 115679627) is 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is CCc1cnc(C(C)NS(=O)(=O)c2cccnc2Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is HXPXIUPJQSYDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-3-9-7-15-12(19-9)8(2)16-20(17,18)10-5-4-6-14-11(10)13/h4-8,16H,3H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115679627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).