2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide

C11H11ClN2O2S2 — CID 43455810

IUPAC2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-2-8-5-3-4-6-9(8)14-18(15,16)10-7-13-11(12)17-10/h3-7,14H,2H2,1H3
InChIKeyFDFNRBAGCMMPKS-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455810) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455810
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-2-8-5-3-4-6-9(8)14-18(15,16)10-7-13-11(12)17-10/h3-7,14H,2H2,1H3
InChIKeyFDFNRBAGCMMPKS-UHFFFAOYSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 61052007
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
2-chloro-N-(2-imidazol-1-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 61052341
2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
CID 61041732
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
CID 114259497
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
2-chloro-N-(3-chloro-2H-indazol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949514
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide (CID 43455810) is 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FDFNRBAGCMMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-2-8-5-3-4-6-9(8)14-18(15,16)10-7-13-11(12)17-10/h3-7,14H,2H2,1H3.
What are the key properties of 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).