3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

C18H13Cl3N2O3S2 — CID 41151631

IUPAC3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C18H13Cl3N2O3S2/c19-11-1-4-13(5-2-11)28(25,26)8-7-17(24)23-18-22-16(10-27-18)14-6-3-12(20)9-15(14)21/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKeyACAJBTBHRYMKPH-UHFFFAOYSA-N
MW475.81 g/mol
LogP5.57
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 41151631) has the molecular formula C18H13Cl3N2O3S2 and a molecular weight of 475.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID41151631
Molecular FormulaC18H13Cl3N2O3S2
Molecular Weight475.81 g/mol
Exact Mass473.94
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C18H13Cl3N2O3S2/c19-11-1-4-13(5-2-11)28(25,26)8-7-17(24)23-18-22-16(10-27-18)14-6-3-12(20)9-15(14)21/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKeyACAJBTBHRYMKPH-UHFFFAOYSA-N
XLogP5.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
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3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
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3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
4-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
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2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 18573175
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
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N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
2-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 22584795
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (CID 41151631) is 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ACAJBTBHRYMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3S2/c19-11-1-4-13(5-2-11)28(25,26)8-7-17(24)23-18-22-16(10-27-18)14-6-3-12(20)9-15(14)21/h1-6,9-10H,7-8H2,(H,22,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 475.81 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 41151631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).