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

C18H13ClF2N2O3S2 — CID 16910434

IUPAC3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C18H13ClF2N2O3S2/c19-12-2-4-13(5-3-12)28(25,26)8-7-17(24)23-18-22-16(10-27-18)11-1-6-14(20)15(21)9-11/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKeyVSECWUCVBUZPLS-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.54
Rot. Bonds6

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

3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 16910434) has the molecular formula C18H13ClF2N2O3S2 and a molecular weight of 442.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID16910434
Molecular FormulaC18H13ClF2N2O3S2
Molecular Weight442.90 g/mol
Exact Mass442.00
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C18H13ClF2N2O3S2/c19-12-2-4-13(5-3-12)28(25,26)8-7-17(24)23-18-22-16(10-27-18)11-1-6-14(20)15(21)9-11/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKeyVSECWUCVBUZPLS-UHFFFAOYSA-N
XLogP4.54
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
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3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
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2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
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CID 41274662
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
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3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 16910434) is 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VSECWUCVBUZPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S2/c19-12-2-4-13(5-3-12)28(25,26)8-7-17(24)23-18-22-16(10-27-18)11-1-6-14(20)15(21)9-11/h1-6,9-10H,7-8H2,(H,22,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 442.90 g/mol, XLogP of 4.54, 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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 16910434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).