N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide

C10H10INO3S — CID 134891557

IUPACN-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide
SMILESO=CNC/C(I)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10INO3S/c11-9(6-12-8-13)7-16(14,15)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,12,13)/b9-7+
InChIKeyPOIWNJMRVUIKSV-VQHVLOKHSA-N
MW351.17 g/mol
LogP1.48
Rot. Bonds5

About N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide

N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide (PubChem CID 134891557) has the molecular formula C10H10INO3S and a molecular weight of 351.17 g/mol. Its IUPAC name is N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide
PubChem CID134891557
Molecular FormulaC10H10INO3S
Molecular Weight351.17 g/mol
Exact Mass350.94
IUPAC NameN-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide
SMILESO=CNC/C(I)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10INO3S/c11-9(6-12-8-13)7-16(14,15)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,12,13)/b9-7+
InChIKeyPOIWNJMRVUIKSV-VQHVLOKHSA-N
XLogP1.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]acetamide
CID 134891520
N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]-2,2,2-trifluoroacetamide
CID 10862682
N-[2-(benzenesulfonyl)ethyl]prop-2-en-1-amine
CID 13655089
N-(2-(phenylsulfonyl)ethyl)acetamide
CID 14952153
2-(Benzenesulfonyl)ethylurea
CID 17768744
N-(Phenylsulfonylmethyl)formamide
CID 19855543
2-(Benzenesulfonyl)ethylcarbamic acid
CID 53729414
3-(4-Iodophenyl)sulfonylpropylcarbamic acid
CID 53891867
3-(4-Iodophenyl)sulfonylprop-2-ynylcarbamic acid
CID 54034675
N-[(E,3S)-1-(benzenesulfonyl)hept-1-en-3-yl]formamide
CID 60103202
N-[2-amino-1-(benzenesulfonyl)ethyl]formamide
CID 88051275

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide?
The IUPAC name of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide (CID 134891557) is N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide.
What is the SMILES notation for N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide?
The canonical SMILES for N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide is O=CNC/C(I)=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide?
The InChIKey is POIWNJMRVUIKSV-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H10INO3S/c11-9(6-12-8-13)7-16(14,15)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,12,13)/b9-7+.
What are the key properties of N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide?
N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide has a molecular weight of 351.17 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide is sourced from PubChem (CID 134891557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).