2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide

C13H15ClN2O3S2 — CID 61051605

IUPAC2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(C)cc1C(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-8-4-5-11(19-3)10(6-8)9(2)16-21(17,18)12-7-15-13(14)20-12/h4-7,9,16H,1-3H3
InChIKeyARLVDXLNGZHAOQ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.15
Rot. Bonds5

About 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61051605) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID61051605
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(C)cc1C(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-8-4-5-11(19-3)10(6-8)9(2)16-21(17,18)12-7-15-13(14)20-12/h4-7,9,16H,1-3H3
InChIKeyARLVDXLNGZHAOQ-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

methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-3-methylbutanoate
CID 43455982
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
1-bromo-N-[1-(2-methoxy-5-methylphenyl)ethyl]methanesulfonamide
CID 83084664
methyl 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]sulfamoyl]benzoate
CID 26530406
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
2,3-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43907923
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106041315
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31079019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide (CID 61051605) is 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide is COc1ccc(C)cc1C(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is ARLVDXLNGZHAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8-4-5-11(19-3)10(6-8)9(2)16-21(17,18)12-7-15-13(14)20-12/h4-7,9,16H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-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-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).