2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide

C19H11Cl4N3O2S — CID 12912898

IUPAC2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H11Cl4N3O2S/c20-12-6-4-10(8-15(12)23)29-11-5-7-16(24-9-11)25-19(28)26-18(27)17-13(21)2-1-3-14(17)22/h1-9H,(H2,24,25,26,27,28)
InChIKeyUQGRUHLKRQGZJK-UHFFFAOYSA-N
MW487.20 g/mol
LogP6.81
Rot. Bonds4

About 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide

2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide (PubChem CID 12912898) has the molecular formula C19H11Cl4N3O2S and a molecular weight of 487.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
PubChem CID12912898
Molecular FormulaC19H11Cl4N3O2S
Molecular Weight487.20 g/mol
Exact Mass484.93
IUPAC Name2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H11Cl4N3O2S/c20-12-6-4-10(8-15(12)23)29-11-5-7-16(24-9-11)25-19(28)26-18(27)17-13(21)2-1-3-14(17)22/h1-9H,(H2,24,25,26,27,28)
InChIKeyUQGRUHLKRQGZJK-UHFFFAOYSA-N
XLogP6.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.20
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
CID 21313103
2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912757
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
CID 21313128
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
N-[[6-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 19072615
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide (CID 12912898) is 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide?
The InChIKey is UQGRUHLKRQGZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3O2S/c20-12-6-4-10(8-15(12)23)29-11-5-7-16(24-9-11)25-19(28)26-18(27)17-13(21)2-1-3-14(17)22/h1-9H,(H2,24,25,26,27,28).
What are the key properties of 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide?
2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide has a molecular weight of 487.20 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 12912898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).