2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide

C10H9ClN2O2S2 — CID 43427433

IUPAC2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H9ClN2O2S2/c1-13(8-5-3-2-4-6-8)17(14,15)9-7-12-10(11)16-9/h2-7H,1H3
InChIKeyXXCYOFDSFKDFPB-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide (PubChem CID 43427433) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
PubChem CID43427433
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H9ClN2O2S2/c1-13(8-5-3-2-4-6-8)17(14,15)9-7-12-10(11)16-9/h2-7H,1H3
InChIKeyXXCYOFDSFKDFPB-UHFFFAOYSA-N
XLogP2.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 106934935
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61045396
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
CID 56805912
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide (CID 43427433) is 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XXCYOFDSFKDFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-13(8-5-3-2-4-6-8)17(14,15)9-7-12-10(11)16-9/h2-7H,1H3.
What are the key properties of 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).