2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide

C9H8ClN3O2S2 — CID 106934935

IUPAC2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H8ClN3O2S2/c1-13(7-2-4-11-5-3-7)17(14,15)8-6-12-9(10)16-8/h2-6H,1H3
InChIKeyYKQAWWNSBZSSBI-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.02
Rot. Bonds3

About 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide (PubChem CID 106934935) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
PubChem CID106934935
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC Name2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H8ClN3O2S2/c1-13(7-2-4-11-5-3-7)17(14,15)8-6-12-9(10)16-8/h2-6H,1H3
InChIKeyYKQAWWNSBZSSBI-UHFFFAOYSA-N
XLogP2.02
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 3239290
[2-(2-Methyl-1,3-thiazol-4-yl)ethylamino](oxo)-3-pyridyl-lambda-sulfaniumolate
CID 7152310
4-Methyl-2-((5-(pyrrolidin-1-ylsulfonyl)pyridin-2-yl)thio)thiazole
CID 2527478
5-Pyridin-2-ylsulfinyl-1,3-thiazole
CID 9815704
5-ethyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 72019952
N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide
CID 2524074
N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-sulfonamide
CID 2527484
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 71997196
5-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 99850447
5-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-2-ethyl-1,3-thiazole
CID 128568470
N-ethyl-2,5-dimethyl-N-pyridin-4-ylthiophene-3-sulfonamide
CID 132381835
2-cyano-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-sulfonamide
CID 164635231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide (CID 106934935) is 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide is CN(c1ccncc1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is YKQAWWNSBZSSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S2/c1-13(7-2-4-11-5-3-7)17(14,15)8-6-12-9(10)16-8/h2-6H,1H3.
What are the key properties of 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 289.77 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).