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

C17H16ClN3O3S2 — CID 38997085

IUPAC3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1Cl
InChIInChI=1S/C17H16ClN3O3S2/c1-24-16-3-2-14(10-15(16)18)26(22,23)20-9-6-13-11-25-17(21-13)12-4-7-19-8-5-12/h2-5,7-8,10-11,20H,6,9H2,1H3
InChIKeySSFQJSHVCJXMLX-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.39
Rot. Bonds7

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

3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 38997085) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID38997085
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1Cl
InChIInChI=1S/C17H16ClN3O3S2/c1-24-16-3-2-14(10-15(16)18)26(22,23)20-9-6-13-11-25-17(21-13)12-4-7-19-8-5-12/h2-5,7-8,10-11,20H,6,9H2,1H3
InChIKeySSFQJSHVCJXMLX-UHFFFAOYSA-N
XLogP3.39
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398411
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
CID 110625038
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 38997085) is 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SSFQJSHVCJXMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-24-16-3-2-14(10-15(16)18)26(22,23)20-9-6-13-11-25-17(21-13)12-4-7-19-8-5-12/h2-5,7-8,10-11,20H,6,9H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 409.92 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 38997085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).