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

C13H15ClN2O3S2 — CID 56805357

IUPAC2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(C)c2nc(C)cs2)c1
InChIInChI=1S/C13H15ClN2O3S2/c1-8-7-20-13(15-8)9(2)16-21(17,18)12-6-10(19-3)4-5-11(12)14/h4-7,9,16H,1-3H3
InChIKeyHXRULUPPLSGXFT-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.15
Rot. Bonds5

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

2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 56805357) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID56805357
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(C)c2nc(C)cs2)c1
InChIInChI=1S/C13H15ClN2O3S2/c1-8-7-20-13(15-8)9(2)16-21(17,18)12-6-10(19-3)4-5-11(12)14/h4-7,9,16H,1-3H3
InChIKeyHXRULUPPLSGXFT-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 56805357) is 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)NC(C)c2nc(C)cs2)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HXRULUPPLSGXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8-7-20-13(15-8)9(2)16-21(17,18)12-6-10(19-3)4-5-11(12)14/h4-7,9,16H,1-3H3.
What are the key properties of 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-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 2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56805357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).