3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C19H18N6O7S2 — CID 17192958

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H18N6O7S2/c26-18(10-13-22-33(29,30)16-8-4-15(5-9-16)25(27)28)23-14-2-6-17(7-3-14)34(31,32)24-19-20-11-1-12-21-19/h1-9,11-12,22H,10,13H2,(H,23,26)(H,20,21,24)
InChIKeyJRSADMBDHSWXJN-UHFFFAOYSA-N
MW506.52 g/mol
LogP1.49
Rot. Bonds10

About 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 17192958) has the molecular formula C19H18N6O7S2 and a molecular weight of 506.52 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID17192958
Molecular FormulaC19H18N6O7S2
Molecular Weight506.52 g/mol
Exact Mass506.07
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H18N6O7S2/c26-18(10-13-22-33(29,30)16-8-4-15(5-9-16)25(27)28)23-14-2-6-17(7-3-14)34(31,32)24-19-20-11-1-12-21-19/h1-9,11-12,22H,10,13H2,(H,23,26)(H,20,21,24)
InChIKeyJRSADMBDHSWXJN-UHFFFAOYSA-N
XLogP1.49
TPSA190.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19568038
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17192801
3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
2-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19522441

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 17192958) is 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is JRSADMBDHSWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O7S2/c26-18(10-13-22-33(29,30)16-8-4-15(5-9-16)25(27)28)23-14-2-6-17(7-3-14)34(31,32)24-19-20-11-1-12-21-19/h1-9,11-12,22H,10,13H2,(H,23,26)(H,20,21,24).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 506.52 g/mol, XLogP of 1.49, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17192958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).