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

C12H12Cl2N2O3S2 — CID 61041732

IUPAC2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCCCOc1ccc(Cl)cc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H12Cl2N2O3S2/c1-2-5-19-10-4-3-8(13)6-9(10)16-21(17,18)11-7-15-12(14)20-11/h3-4,6-7,16H,2,5H2,1H3
InChIKeyWSXYLBNRWAKBBV-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.04
Rot. Bonds6

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

2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61041732) has the molecular formula C12H12Cl2N2O3S2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID61041732
Molecular FormulaC12H12Cl2N2O3S2
Molecular Weight367.28 g/mol
Exact Mass365.97
IUPAC Name2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCCCOc1ccc(Cl)cc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H12Cl2N2O3S2/c1-2-5-19-10-4-3-8(13)6-9(10)16-21(17,18)11-7-15-12(14)20-11/h3-4,6-7,16H,2,5H2,1H3
InChIKeyWSXYLBNRWAKBBV-UHFFFAOYSA-N
XLogP4.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62999325
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
CID 114259497
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 87047072
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide (CID 61041732) is 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide is CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is WSXYLBNRWAKBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S2/c1-2-5-19-10-4-3-8(13)6-9(10)16-21(17,18)11-7-15-12(14)20-11/h3-4,6-7,16H,2,5H2,1H3.
What are the key properties of 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 367.28 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61041732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).