2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide

C19H12Cl3N3O2S — CID 12912757

IUPAC2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H12Cl3N3O2S/c20-11-3-1-4-13(9-11)28-16-8-7-12(10-23-16)24-19(27)25-18(26)17-14(21)5-2-6-15(17)22/h1-10H,(H2,24,25,26,27)
InChIKeyKNKILXSAKXLKBK-UHFFFAOYSA-N
MW452.75 g/mol
LogP6.15
Rot. Bonds4

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

2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide (PubChem CID 12912757) has the molecular formula C19H12Cl3N3O2S and a molecular weight of 452.75 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
PubChem CID12912757
Molecular FormulaC19H12Cl3N3O2S
Molecular Weight452.75 g/mol
Exact Mass450.97
IUPAC Name2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H12Cl3N3O2S/c20-11-3-1-4-13(9-11)28-16-8-7-12(10-23-16)24-19(27)25-18(26)17-14(21)5-2-6-15(17)22/h1-10H,(H2,24,25,26,27)
InChIKeyKNKILXSAKXLKBK-UHFFFAOYSA-N
XLogP6.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.75
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 12912845
N-[[6-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 19072615
N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide
CID 12912870
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
CID 12912898
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
CID 21313128
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide (CID 12912757) is 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2cccc(Cl)c2)nc1.
What is the InChIKey of 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is KNKILXSAKXLKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O2S/c20-11-3-1-4-13(9-11)28-16-8-7-12(10-23-16)24-19(27)25-18(26)17-14(21)5-2-6-15(17)22/h1-10H,(H2,24,25,26,27).
What are the key properties of 2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide?
2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 452.75 g/mol, XLogP of 6.15, 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-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 12912757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).