2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H17Cl2N5O3S — CID 146667685

IUPAC2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Nc2cn[nH]c2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl
InChIInChI=1S/C19H17Cl2N5O3S/c20-12-6-13(24-15-10-22-23-11-15)8-14(7-12)25-19(27)17-9-16(2-3-18(17)21)26-4-1-5-30(26,28)29/h2-3,6-11,24H,1,4-5H2,(H,22,23)(H,25,27)
InChIKeyAAYDMNVTEVMXNC-UHFFFAOYSA-N
MW466.35 g/mol
LogP4.25
Rot. Bonds5

About 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667685) has the molecular formula C19H17Cl2N5O3S and a molecular weight of 466.35 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146667685
Molecular FormulaC19H17Cl2N5O3S
Molecular Weight466.35 g/mol
Exact Mass465.04
IUPAC Name2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Nc2cn[nH]c2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl
InChIInChI=1S/C19H17Cl2N5O3S/c20-12-6-13(24-15-10-22-23-11-15)8-14(7-12)25-19(27)17-9-16(2-3-18(17)21)26-4-1-5-30(26,28)29/h2-3,6-11,24H,1,4-5H2,(H,22,23)(H,25,27)
InChIKeyAAYDMNVTEVMXNC-UHFFFAOYSA-N
XLogP4.25
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668604
2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667613
2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667471
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
2-chloro-N-(3-cyano-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628355
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
2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667596
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146667685) is 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(Nc2cn[nH]c2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is AAYDMNVTEVMXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3S/c20-12-6-13(24-15-10-22-23-11-15)8-14(7-12)25-19(27)17-9-16(2-3-18(17)21)26-4-1-5-30(26,28)29/h2-3,6-11,24H,1,4-5H2,(H,22,23)(H,25,27).
What are the key properties of 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 466.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).