2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

C9H8ClN3O3S2 — CID 103868103

IUPAC2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2cccnc2Cl)cs1
InChIInChI=1S/C9H8ClN3O3S2/c10-8-7(2-1-3-11-8)18(15,16)12-4-6-5-17-9(14)13-6/h1-3,5,12H,4H2,(H,13,14)
InChIKeyWILHPIWDPQAXRO-UHFFFAOYSA-N
MW305.77 g/mol
LogP0.96
Rot. Bonds4

About 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 103868103) has the molecular formula C9H8ClN3O3S2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID103868103
Molecular FormulaC9H8ClN3O3S2
Molecular Weight305.77 g/mol
Exact Mass304.97
IUPAC Name2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2cccnc2Cl)cs1
InChIInChI=1S/C9H8ClN3O3S2/c10-8-7(2-1-3-11-8)18(15,16)12-4-6-5-17-9(14)13-6/h1-3,5,12H,4H2,(H,13,14)
InChIKeyWILHPIWDPQAXRO-UHFFFAOYSA-N
XLogP0.96
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106383311
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965
2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 104919318
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106379297
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 106383322
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
3-(aminomethyl)-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383910
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106383944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (CID 103868103) is 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is O=c1[nH]c(CNS(=O)(=O)c2cccnc2Cl)cs1.
What is the InChIKey of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is WILHPIWDPQAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3S2/c10-8-7(2-1-3-11-8)18(15,16)12-4-6-5-17-9(14)13-6/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 305.77 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103868103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).