N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide

C14H12ClFN2O3S — CID 75503116

IUPACN-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide
SMILESCS(=O)(=O)Cc1ccc(Cl)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C14H12ClFN2O3S/c1-22(20,21)8-9-2-4-11(15)13(6-9)18-14(19)12-5-3-10(16)7-17-12/h2-7H,8H2,1H3,(H,18,19)
InChIKeyNZBCWLYIPXBYNL-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.67
Rot. Bonds4

About N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide

N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 75503116) has the molecular formula C14H12ClFN2O3S and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide
PubChem CID75503116
Molecular FormulaC14H12ClFN2O3S
Molecular Weight342.78 g/mol
Exact Mass342.02
IUPAC NameN-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide
SMILESCS(=O)(=O)Cc1ccc(Cl)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C14H12ClFN2O3S/c1-22(20,21)8-9-2-4-11(15)13(6-9)18-14(19)12-5-3-10(16)7-17-12/h2-7H,8H2,1H3,(H,18,19)
InChIKeyNZBCWLYIPXBYNL-UHFFFAOYSA-N
XLogP2.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
CID 2761444
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 63724738
N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide (CID 75503116) is N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide is CS(=O)(=O)Cc1ccc(Cl)c(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is NZBCWLYIPXBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3S/c1-22(20,21)8-9-2-4-11(15)13(6-9)18-14(19)12-5-3-10(16)7-17-12/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide?
N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 75503116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).