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

C18H14Cl2N2O3S2 — CID 18560857

IUPAC3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H14Cl2N2O3S2/c19-14-7-6-12(10-15(14)20)16-11-26-18(21-16)22-17(23)8-9-27(24,25)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,21,22,23)
InChIKeyXIEBRPXTQNAYME-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.92
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 18560857) has the molecular formula C18H14Cl2N2O3S2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID18560857
Molecular FormulaC18H14Cl2N2O3S2
Molecular Weight441.36 g/mol
Exact Mass439.98
IUPAC Name3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H14Cl2N2O3S2/c19-14-7-6-12(10-15(14)20)16-11-26-18(21-16)22-17(23)8-9-27(24,25)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,21,22,23)
InChIKeyXIEBRPXTQNAYME-UHFFFAOYSA-N
XLogP4.92
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
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3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
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2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (CID 18560857) is 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is XIEBRPXTQNAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S2/c19-14-7-6-12(10-15(14)20)16-11-26-18(21-16)22-17(23)8-9-27(24,25)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,21,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 441.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 18560857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).