N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide

C19H12ClF2N3O2S — CID 12912845

IUPACN-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Sc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H12ClF2N3O2S/c20-11-4-7-13(8-5-11)28-16-9-6-12(10-23-16)24-19(27)25-18(26)17-14(21)2-1-3-15(17)22/h1-10H,(H2,24,25,26,27)
InChIKeyFWUNNIVPVVYIJT-UHFFFAOYSA-N
MW419.84 g/mol
LogP5.13
Rot. Bonds4

About N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide

N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 12912845) has the molecular formula C19H12ClF2N3O2S and a molecular weight of 419.84 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID12912845
Molecular FormulaC19H12ClF2N3O2S
Molecular Weight419.84 g/mol
Exact Mass419.03
IUPAC NameN-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Sc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H12ClF2N3O2S/c20-11-4-7-13(8-5-11)28-16-9-6-12(10-23-16)24-19(27)25-18(26)17-14(21)2-1-3-15(17)22/h1-10H,(H2,24,25,26,27)
InChIKeyFWUNNIVPVVYIJT-UHFFFAOYSA-N
XLogP5.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912757
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
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
2,6-dimethoxy-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912799
2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
CID 57245040
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide
CID 12912870
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide (CID 12912845) is N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Sc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is FWUNNIVPVVYIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O2S/c20-11-4-7-13(8-5-11)28-16-9-6-12(10-23-16)24-19(27)25-18(26)17-14(21)2-1-3-15(17)22/h1-10H,(H2,24,25,26,27).
What are the key properties of N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 419.84 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 12912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).