2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide

C10H11ClN2O2S3 — CID 61042679

IUPAC2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H11ClN2O2S3/c1-2-13(7-8-4-3-5-16-8)18(14,15)9-6-12-10(11)17-9/h3-6H,2,7H2,1H3
InChIKeySJGPKKAWMXKDBI-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.07
Rot. Bonds5

About 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61042679) has the molecular formula C10H11ClN2O2S3 and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61042679
Molecular FormulaC10H11ClN2O2S3
Molecular Weight322.86 g/mol
Exact Mass321.97
IUPAC Name2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H11ClN2O2S3/c1-2-13(7-8-4-3-5-16-8)18(14,15)9-6-12-10(11)17-9/h3-6H,2,7H2,1H3
InChIKeySJGPKKAWMXKDBI-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 79481379
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 115602484
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61040679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 61042679) is 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is SJGPKKAWMXKDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S3/c1-2-13(7-8-4-3-5-16-8)18(14,15)9-6-12-10(11)17-9/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 322.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).