N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide

C16H16ClFN2O3S — CID 18378784

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide
SMILESCC(C)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C16H16ClFN2O3S/c1-10(2)9-24(22,23)14-5-3-11(7-13(14)18)16(21)20-12-4-6-15(17)19-8-12/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyNLUMGDHJPHUFOP-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.56
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide (PubChem CID 18378784) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide
PubChem CID18378784
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide
SMILESCC(C)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C16H16ClFN2O3S/c1-10(2)9-24(22,23)14-5-3-11(7-13(14)18)16(21)20-12-4-6-15(17)19-8-12/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyNLUMGDHJPHUFOP-UHFFFAOYSA-N
XLogP3.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Vismodegib
CID 24776445
Gsk3787
CID 2800647
Ztz240
CID 3780776
5-Chloro-pyridine-2-carboxylic acid [3-((R)-5-amino-3,6,6-trimethyl-1,1-dioxo-1,2,3,6-tetrahydro-1lambda6-[1,4]thiazin-3-yl)-4-fluoro-phenyl]-amide
CID 66562362
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
4-(azepan-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2540422
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
CID 18378796
N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
CID 18378797
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
CID 44626324
N-(4-chloro-3-(pyridin-2-yl)phenyl)-3-(methylsulfonyl)benzamide
CID 45485696
N-(4-(2-chlorobenzylsulfonyl)phenyl)picolinamide
CID 49865452

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide (CID 18378784) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide is CC(C)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide?
The InChIKey is NLUMGDHJPHUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-10(2)9-24(22,23)14-5-3-11(7-13(14)18)16(21)20-12-4-6-15(17)19-8-12/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide has a molecular weight of 370.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide is sourced from PubChem (CID 18378784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).