2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

C11H13ClN2O2S3 — CID 103721069

IUPAC2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2sc(Cl)nc2C)s1
InChIInChI=1S/C11H13ClN2O2S3/c1-3-8-4-5-9(17-8)6-13-19(15,16)10-7(2)14-11(12)18-10/h4-5,13H,3,6H2,1-2H3
InChIKeyKJJJGSQYMQIUDO-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.21
Rot. Bonds5

About 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103721069) has the molecular formula C11H13ClN2O2S3 and a molecular weight of 336.89 g/mol. Its IUPAC name is 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103721069
Molecular FormulaC11H13ClN2O2S3
Molecular Weight336.89 g/mol
Exact Mass335.98
IUPAC Name2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2sc(Cl)nc2C)s1
InChIInChI=1S/C11H13ClN2O2S3/c1-3-8-4-5-9(17-8)6-13-19(15,16)10-7(2)14-11(12)18-10/h4-5,13H,3,6H2,1-2H3
InChIKeyKJJJGSQYMQIUDO-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 106833703
2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62229620
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 103721069) is 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is CCc1ccc(CNS(=O)(=O)c2sc(Cl)nc2C)s1.
What is the InChIKey of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KJJJGSQYMQIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S3/c1-3-8-4-5-9(17-8)6-13-19(15,16)10-7(2)14-11(12)18-10/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 336.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103721069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).