methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate

C21H19ClN2O4S — CID 15232186

IUPACmethyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate
SMILESCOC(=O)c1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-28-21(25)16-6-4-15(5-7-16)13-20(17-3-2-12-23-14-17)24-29(26,27)19-10-8-18(22)9-11-19/h2-12,14,20,24H,13H2,1H3
InChIKeyLZQMJWDBNTWCHU-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.78
Rot. Bonds7

About methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate

methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate (PubChem CID 15232186) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate
PubChem CID15232186
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Namemethyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate
SMILESCOC(=O)c1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-28-21(25)16-6-4-15(5-7-16)13-20(17-3-2-12-23-14-17)24-29(26,27)19-10-8-18(22)9-11-19/h2-12,14,20,24H,13H2,1H3
InChIKeyLZQMJWDBNTWCHU-UHFFFAOYSA-N
XLogP3.78
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoate
CID 10790087
4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 110222105
ethyl 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]-3-methylphenyl]prop-2-enoate
CID 67873137
methyl 4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]sulfamoyl]benzoate
CID 56728594
methyl 3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexan-2-yl]phenyl]propanoate
CID 139700235
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
4-[[2-[(4-chlorophenyl)sulfonylamino]propyl-(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 139608893
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid
CID 68672777
methyl 3-methyl-4-(1-pyridin-3-ylethylsulfamoyl)benzoate
CID 49454216
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate?
The IUPAC name of methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate (CID 15232186) is methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate?
The canonical SMILES for methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate is COC(=O)c1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate?
The InChIKey is LZQMJWDBNTWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-28-21(25)16-6-4-15(5-7-16)13-20(17-3-2-12-23-14-17)24-29(26,27)19-10-8-18(22)9-11-19/h2-12,14,20,24H,13H2,1H3.
What are the key properties of methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate?
methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate has a molecular weight of 430.91 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate is sourced from PubChem (CID 15232186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).