2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide

C16H18FN3O3S — CID 110499336

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccnc(C)c1
InChIInChI=1S/C16H18FN3O3S/c1-3-15(16(21)19-13-8-9-18-11(2)10-13)20-24(22,23)14-6-4-12(17)5-7-14/h4-10,15,20H,3H2,1-2H3,(H,18,19,21)
InChIKeyUZEDUWHTHFWVMN-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.22
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide (PubChem CID 110499336) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
PubChem CID110499336
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccnc(C)c1
InChIInChI=1S/C16H18FN3O3S/c1-3-15(16(21)19-13-8-9-18-11(2)10-13)20-24(22,23)14-6-4-12(17)5-7-14/h4-10,15,20H,3H2,1-2H3,(H,18,19,21)
InChIKeyUZEDUWHTHFWVMN-UHFFFAOYSA-N
XLogP2.22
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 110502529
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
propan-2-yl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499299
N-[4-(diethylamino)-2-methylphenyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499213
N-(8-ethyl-9H-carbazol-2-yl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499212
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
CID 50740483
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide (CID 110499336) is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccnc(C)c1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide?
The InChIKey is UZEDUWHTHFWVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-3-15(16(21)19-13-8-9-18-11(2)10-13)20-24(22,23)14-6-4-12(17)5-7-14/h4-10,15,20H,3H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide has a molecular weight of 351.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide is sourced from PubChem (CID 110499336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).