methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate

C17H15N3O4S2 — CID 113020656

IUPACmethyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C17H15N3O4S2/c1-24-17(21)13-5-2-3-6-14(13)19-15-9-8-12(11-18-15)20-26(22,23)16-7-4-10-25-16/h2-11,20H,1H3,(H,18,19)
InChIKeyJFDSUPNYUCHHFV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.47
Rot. Bonds6

About methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate

methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate (PubChem CID 113020656) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
PubChem CID113020656
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Namemethyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C17H15N3O4S2/c1-24-17(21)13-5-2-3-6-14(13)19-15-9-8-12(11-18-15)20-26(22,23)16-7-4-10-25-16/h2-11,20H,1H3,(H,18,19)
InChIKeyJFDSUPNYUCHHFV-UHFFFAOYSA-N
XLogP3.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035267
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate (CID 113020656) is methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is JFDSUPNYUCHHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-24-17(21)13-5-2-3-6-14(13)19-15-9-8-12(11-18-15)20-26(22,23)16-7-4-10-25-16/h2-11,20H,1H3,(H,18,19).
What are the key properties of methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate?
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113020656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).