N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

C15H14IN3O5S — CID 17192861

IUPACN-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H14IN3O5S/c16-11-1-3-12(4-2-11)18-15(20)9-10-17-25(23,24)14-7-5-13(6-8-14)19(21)22/h1-8,17H,9-10H2,(H,18,20)
InChIKeyKFZNGKOBLMPRLN-UHFFFAOYSA-N
MW475.26 g/mol
LogP2.51
Rot. Bonds7

About N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192861) has the molecular formula C15H14IN3O5S and a molecular weight of 475.26 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192861
Molecular FormulaC15H14IN3O5S
Molecular Weight475.26 g/mol
Exact Mass474.97
IUPAC NameN-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H14IN3O5S/c16-11-1-3-12(4-2-11)18-15(20)9-10-17-25(23,24)14-7-5-13(6-8-14)19(21)22/h1-8,17H,9-10H2,(H,18,20)
InChIKeyKFZNGKOBLMPRLN-UHFFFAOYSA-N
XLogP2.51
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 17192958
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17192801
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192963
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192861) is N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is KFZNGKOBLMPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O5S/c16-11-1-3-12(4-2-11)18-15(20)9-10-17-25(23,24)14-7-5-13(6-8-14)19(21)22/h1-8,17H,9-10H2,(H,18,20).
What are the key properties of N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 475.26 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).