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

C14H17ClN2O3S2 — CID 10126154

IUPAC3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCCOCCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C14H17ClN2O3S2/c1-3-20-8-7-11-9-16-14(21-11)17-22(18,19)13-6-4-5-12(15)10(13)2/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyFHUAHKLSNNDRFN-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.48
Rot. Bonds7

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

3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 10126154) has the molecular formula C14H17ClN2O3S2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID10126154
Molecular FormulaC14H17ClN2O3S2
Molecular Weight360.89 g/mol
Exact Mass360.04
IUPAC Name3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCCOCCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C14H17ClN2O3S2/c1-3-20-8-7-11-9-16-14(21-11)17-22(18,19)13-6-4-5-12(15)10(13)2/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyFHUAHKLSNNDRFN-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 10126154) is 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is CCOCCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.
What is the InChIKey of 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is FHUAHKLSNNDRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S2/c1-3-20-8-7-11-9-16-14(21-11)17-22(18,19)13-6-4-5-12(15)10(13)2/h4-6,9H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 360.89 g/mol, XLogP of 3.48, 7 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-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10126154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).