2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide

C17H15Cl2F3N2O3S — CID 146628612

IUPAC2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cc(N2CCCS2(O)O)ccc1Cl
InChIInChI=1S/C17H15Cl2F3N2O3S/c18-11-6-10(17(20,21)22)7-12(8-11)23-16(25)14-9-13(2-3-15(14)19)24-4-1-5-28(24,26)27/h2-3,6-9,26-27H,1,4-5H2,(H,23,25)
InChIKeyUPBWNSXVKHHJEU-UHFFFAOYSA-N
MW455.29 g/mol
LogP6.14
Rot. Bonds3

About 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146628612) has the molecular formula C17H15Cl2F3N2O3S and a molecular weight of 455.29 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
PubChem CID146628612
Molecular FormulaC17H15Cl2F3N2O3S
Molecular Weight455.29 g/mol
Exact Mass454.01
IUPAC Name2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cc(N2CCCS2(O)O)ccc1Cl
InChIInChI=1S/C17H15Cl2F3N2O3S/c18-11-6-10(17(20,21)22)7-12(8-11)23-16(25)14-9-13(2-3-15(14)19)24-4-1-5-28(24,26)27/h2-3,6-9,26-27H,1,4-5H2,(H,23,25)
InChIKeyUPBWNSXVKHHJEU-UHFFFAOYSA-N
XLogP6.14
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.29
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
CID 146628313
2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628430
2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668604
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667471
2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668619
2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667685
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667613
tert-butyl 4-[3-chloro-5-[[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenoxy]piperidine-1-carboxylate
CID 146668841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide (CID 146628612) is 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cc(N2CCCS2(O)O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is UPBWNSXVKHHJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O3S/c18-11-6-10(17(20,21)22)7-12(8-11)23-16(25)14-9-13(2-3-15(14)19)24-4-1-5-28(24,26)27/h2-3,6-9,26-27H,1,4-5H2,(H,23,25).
What are the key properties of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 455.29 g/mol, XLogP of 6.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146628612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).