3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C14H16ClFN2O3S2 — CID 10237339

IUPAC3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCOCCF)s1
InChIInChI=1S/C14H16ClFN2O3S2/c1-10-12(15)3-2-4-13(10)23(19,20)18-14-17-9-11(22-14)5-7-21-8-6-16/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyYYFQVOXGGMZYGW-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.43
Rot. Bonds8

About 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 10237339) has the molecular formula C14H16ClFN2O3S2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID10237339
Molecular FormulaC14H16ClFN2O3S2
Molecular Weight378.88 g/mol
Exact Mass378.03
IUPAC Name3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCOCCF)s1
InChIInChI=1S/C14H16ClFN2O3S2/c1-10-12(15)3-2-4-13(10)23(19,20)18-14-17-9-11(22-14)5-7-21-8-6-16/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyYYFQVOXGGMZYGW-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-N-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 10309921
3-chloro-2-methyl-N-[5-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 11486846
3-chloro-2-methyl-N-[5-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 21980173
N-[5-[2-amino-2-(trifluoromethylsulfonyl)ethyl]-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 90972048
Ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 91063482
Ethyl 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 91134193
(4S)-4-(2-amino-1,3-thiazol-5-yl)-4-(2-chloro-4-fluorophenyl)-2-methylbutane-2-sulfinamide
CID 145728340
(4R)-4-(2-amino-1,3-thiazol-5-yl)-4-(2-chloro-4-fluorophenyl)-2-methylbutane-2-sulfinamide
CID 145728342
3-chloro-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 112812046
3-chloro-2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 9822380
3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10125836
3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10126154

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 10237339) is 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCOCCF)s1.
What is the InChIKey of 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is YYFQVOXGGMZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3S2/c1-10-12(15)3-2-4-13(10)23(19,20)18-14-17-9-11(22-14)5-7-21-8-6-16/h2-4,9H,5-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10237339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).