N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide

C13H16N2O4S — CID 146636175

IUPACN-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide
SMILESC=CS(=O)(=O)NCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-2-20(18,19)15-9-3-8-14-13(17)12-6-4-11(10-16)5-7-12/h2,4-7,10,15H,1,3,8-9H2,(H,14,17)
InChIKeySZVPXJZHHSNQCZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.68
Rot. Bonds8

About N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide

N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide (PubChem CID 146636175) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide.

Molecular Properties

Compound NameN-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide
PubChem CID146636175
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide
SMILESC=CS(=O)(=O)NCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-2-20(18,19)15-9-3-8-14-13(17)12-6-4-11(10-16)5-7-12/h2,4-7,10,15H,1,3,8-9H2,(H,14,17)
InChIKeySZVPXJZHHSNQCZ-UHFFFAOYSA-N
XLogP0.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-formylbenzamide
CID 118474745
2-[(4-formylbenzoyl)amino]ethanesulfonic acid
CID 15250596
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 155381882
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
N-[2-(ethenylsulfonylamino)ethyl]furan-2-carboxamide
CID 167799854
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide?
The IUPAC name of N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide (CID 146636175) is N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide.
What is the SMILES notation for N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide?
The canonical SMILES for N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide is C=CS(=O)(=O)NCCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide?
The InChIKey is SZVPXJZHHSNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-2-20(18,19)15-9-3-8-14-13(17)12-6-4-11(10-16)5-7-12/h2,4-7,10,15H,1,3,8-9H2,(H,14,17).
What are the key properties of N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide?
N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide has a molecular weight of 296.35 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide is sourced from PubChem (CID 146636175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).