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

C14H14ClN3O3S — CID 112993228

IUPAC2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Cl)NCc1ccncc1
InChIInChI=1S/C14H14ClN3O3S/c15-12-3-1-2-4-13(12)22(20,21)18-10-14(19)17-9-11-5-7-16-8-6-11/h1-8,18H,9-10H2,(H,17,19)
InChIKeyZKNMQNVSVAZHOJ-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.33
Rot. Bonds6

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

2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 112993228) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID112993228
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Cl)NCc1ccncc1
InChIInChI=1S/C14H14ClN3O3S/c15-12-3-1-2-4-13(12)22(20,21)18-10-14(19)17-9-11-5-7-16-8-6-11/h1-8,18H,9-10H2,(H,17,19)
InChIKeyZKNMQNVSVAZHOJ-UHFFFAOYSA-N
XLogP1.33
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112990861
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 112993228) is 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccccc1Cl)NCc1ccncc1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZKNMQNVSVAZHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-12-3-1-2-4-13(12)22(20,21)18-10-14(19)17-9-11-5-7-16-8-6-11/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 339.80 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 112993228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).