N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide

C17H20N4O5S2 — CID 126817552

IUPACN-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1
InChIInChI=1S/C17H20N4O5S2/c1-21(2)28(25,26)15-8-6-14(7-9-15)27(23,24)20-13-5-10-16(18-11-13)19-17(22)12-3-4-12/h5-12,20H,3-4H2,1-2H3,(H,18,19,22)
InChIKeyUZZCYTXQFNXHOH-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.48
Rot. Bonds7

About N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 126817552) has the molecular formula C17H20N4O5S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID126817552
Molecular FormulaC17H20N4O5S2
Molecular Weight424.50 g/mol
Exact Mass424.09
IUPAC NameN-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1
InChIInChI=1S/C17H20N4O5S2/c1-21(2)28(25,26)15-8-6-14(7-9-15)27(23,24)20-13-5-10-16(18-11-13)19-17(22)12-3-4-12/h5-12,20H,3-4H2,1-2H3,(H,18,19,22)
InChIKeyUZZCYTXQFNXHOH-UHFFFAOYSA-N
XLogP1.48
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
CID 7918659
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
CID 113030001
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 71906050
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide (CID 126817552) is N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1.
What is the InChIKey of N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UZZCYTXQFNXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S2/c1-21(2)28(25,26)15-8-6-14(7-9-15)27(23,24)20-13-5-10-16(18-11-13)19-17(22)12-3-4-12/h5-12,20H,3-4H2,1-2H3,(H,18,19,22).
What are the key properties of N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 424.50 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 126817552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).