5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C13H15ClN2O3S2 — CID 108782236

IUPAC5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)c1csc(C)n1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(11-7-20-9(2)15-11)16-21(17,18)13-6-10(14)4-5-12(13)19-3/h4-8,16H,1-3H3
InChIKeySRIVMUGXCOBAAG-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.15
Rot. Bonds5

About 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 108782236) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID108782236
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)c1csc(C)n1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(11-7-20-9(2)15-11)16-21(17,18)13-6-10(14)4-5-12(13)19-3/h4-8,16H,1-3H3
InChIKeySRIVMUGXCOBAAG-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

5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
CID 70601990
CID 70601990
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzenesulfonamide
CID 108782233
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
CID 108780350
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 108782236) is 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC(C)c1csc(C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SRIVMUGXCOBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8(11-7-20-9(2)15-11)16-21(17,18)13-6-10(14)4-5-12(13)19-3/h4-8,16H,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide 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 5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 108782236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).