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

C13H15ClN2O3S2 — CID 10150043

IUPAC3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCOCCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-9-11(14)4-3-5-12(9)21(17,18)16-13-15-8-10(20-13)6-7-19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyDGLXFUMMEZNHEI-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.09
Rot. Bonds6

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

3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 10150043) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID10150043
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCOCCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-9-11(14)4-3-5-12(9)21(17,18)16-13-15-8-10(20-13)6-7-19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyDGLXFUMMEZNHEI-UHFFFAOYSA-N
XLogP3.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 10150043) is 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is COCCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.
What is the InChIKey of 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is DGLXFUMMEZNHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-9-11(14)4-3-5-12(9)21(17,18)16-13-15-8-10(20-13)6-7-19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 346.86 g/mol, XLogP of 3.09, 6 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-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10150043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).