N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide

C11H9BrCl2N2O3S2 — CID 60749486

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H9BrCl2N2O3S2/c1-2-19-10-7(12)3-6(13)4-8(10)16-21(17,18)9-5-15-11(14)20-9/h3-5,16H,2H2,1H3
InChIKeyCGHAXOGZXZQXDR-UHFFFAOYSA-N
MW432.15 g/mol
LogP4.41
Rot. Bonds5

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 60749486) has the molecular formula C11H9BrCl2N2O3S2 and a molecular weight of 432.15 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID60749486
Molecular FormulaC11H9BrCl2N2O3S2
Molecular Weight432.15 g/mol
Exact Mass429.86
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H9BrCl2N2O3S2/c1-2-19-10-7(12)3-6(13)4-8(10)16-21(17,18)9-5-15-11(14)20-9/h3-5,16H,2H2,1H3
InChIKeyCGHAXOGZXZQXDR-UHFFFAOYSA-N
XLogP4.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.15
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide (CID 60749486) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide is CCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is CGHAXOGZXZQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O3S2/c1-2-19-10-7(12)3-6(13)4-8(10)16-21(17,18)9-5-15-11(14)20-9/h3-5,16H,2H2,1H3.
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 432.15 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60749486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).