N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide

C15H15Cl2N3O4S — CID 167806485

IUPACN-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCc2ccc(NC(C)=O)nc2)cc1Cl
InChIInChI=1S/C15H15Cl2N3O4S/c1-9(21)20-15-4-3-10(7-18-15)8-19-25(22,23)14-6-11(16)13(24-2)5-12(14)17/h3-7,19H,8H2,1-2H3,(H,18,20,21)
InChIKeyABVXAIAFHGONCX-UHFFFAOYSA-N
MW404.28 g/mol
LogP2.83
Rot. Bonds6

About N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide

N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide (PubChem CID 167806485) has the molecular formula C15H15Cl2N3O4S and a molecular weight of 404.28 g/mol. Its IUPAC name is N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide
PubChem CID167806485
Molecular FormulaC15H15Cl2N3O4S
Molecular Weight404.28 g/mol
Exact Mass403.02
IUPAC NameN-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCc2ccc(NC(C)=O)nc2)cc1Cl
InChIInChI=1S/C15H15Cl2N3O4S/c1-9(21)20-15-4-3-10(7-18-15)8-19-25(22,23)14-6-11(16)13(24-2)5-12(14)17/h3-7,19H,8H2,1-2H3,(H,18,20,21)
InChIKeyABVXAIAFHGONCX-UHFFFAOYSA-N
XLogP2.83
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-pyridinyl]acetamide
CID 15954890
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dichloro-4-ethoxybenzenesulfonamide
CID 6456736
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
3-(benzylsulfamoyl)-4-chloro-N-(5-methyl-2-pyridinyl)benzamide
CID 55370754
5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 139003553
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
CID 120606769
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide (CID 167806485) is N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide is COc1cc(Cl)c(S(=O)(=O)NCc2ccc(NC(C)=O)nc2)cc1Cl.
What is the InChIKey of N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide?
The InChIKey is ABVXAIAFHGONCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O4S/c1-9(21)20-15-4-3-10(7-18-15)8-19-25(22,23)14-6-11(16)13(24-2)5-12(14)17/h3-7,19H,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide?
N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide has a molecular weight of 404.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 167806485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).