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

C13H15ClN2O3S2 — CID 66194876

IUPAC2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2sc(Cl)nc2C)cc1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(10-4-6-11(19-3)7-5-10)16-21(17,18)12-9(2)15-13(14)20-12/h4-8,16H,1-3H3
InChIKeyWXCICHQUXJUEOA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.15
Rot. Bonds5

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

2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 66194876) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID66194876
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2sc(Cl)nc2C)cc1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(10-4-6-11(19-3)7-5-10)16-21(17,18)12-9(2)15-13(14)20-12/h4-8,16H,1-3H3
InChIKeyWXCICHQUXJUEOA-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053706
2-chloro-N-[1-(4-cyanophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 61040952
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
CID 5199198
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64603212
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43456245
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100755260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 66194876) is 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is COc1ccc(C(C)NS(=O)(=O)c2sc(Cl)nc2C)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WXCICHQUXJUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8(10-4-6-11(19-3)7-5-10)16-21(17,18)12-9(2)15-13(14)20-12/h4-8,16H,1-3H3.
What are the key properties of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 346.86 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 66194876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).