6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide

C16H17ClN2O3S — CID 1486253

IUPAC6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H17ClN2O3S/c1-3-11(2)23(21,22)15-9-4-12(10-18-15)16(20)19-14-7-5-13(17)6-8-14/h4-11H,3H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyNDHLDQUFTDGMEO-LLVKDONJSA-N
MW352.84 g/mol
LogP3.56
Rot. Bonds5

About 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide

6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide (PubChem CID 1486253) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide
PubChem CID1486253
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H17ClN2O3S/c1-3-11(2)23(21,22)15-9-4-12(10-18-15)16(20)19-14-7-5-13(17)6-8-14/h4-11H,3H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyNDHLDQUFTDGMEO-LLVKDONJSA-N
XLogP3.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane
CID 143393638
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide (CID 1486253) is 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide is CC[C@@H](C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is NDHLDQUFTDGMEO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-3-11(2)23(21,22)15-9-4-12(10-18-15)16(20)19-14-7-5-13(17)6-8-14/h4-11H,3H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide?
6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 352.84 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 6-[(2R)-butan-2-yl]sulfonyl-N-(4-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1486253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).