2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C15H16FN3O3S — CID 112993014

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C15H16FN3O3S/c1-11-8-12(16)5-6-14(11)23(21,22)19-10-15(20)18-9-13-4-2-3-7-17-13/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyKJVMWHNRCCVMDU-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.12
Rot. Bonds6

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 112993014) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID112993014
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C15H16FN3O3S/c1-11-8-12(16)5-6-14(11)23(21,22)19-10-15(20)18-9-13-4-2-3-7-17-13/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyKJVMWHNRCCVMDU-UHFFFAOYSA-N
XLogP1.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 91838714
N-(2-ethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112998830
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993027
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 112993014) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCc1ccccn1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KJVMWHNRCCVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-11-8-12(16)5-6-14(11)23(21,22)19-10-15(20)18-9-13-4-2-3-7-17-13/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 112993014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).