N-prop-2-enyl-4-(sulfamoylamino)benzamide

C10H13N3O3S — CID 112573721

IUPACN-prop-2-enyl-4-(sulfamoylamino)benzamide
SMILESC=CCNC(=O)c1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C10H13N3O3S/c1-2-7-12-10(14)8-3-5-9(6-4-8)13-17(11,15)16/h2-6,13H,1,7H2,(H,12,14)(H2,11,15,16)
InChIKeyHJSNVTOXQCGZML-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.22
Rot. Bonds5

About N-prop-2-enyl-4-(sulfamoylamino)benzamide

N-prop-2-enyl-4-(sulfamoylamino)benzamide (PubChem CID 112573721) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-prop-2-enyl-4-(sulfamoylamino)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(sulfamoylamino)benzamide
PubChem CID112573721
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-prop-2-enyl-4-(sulfamoylamino)benzamide
SMILESC=CCNC(=O)c1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C10H13N3O3S/c1-2-7-12-10(14)8-3-5-9(6-4-8)13-17(11,15)16/h2-6,13H,1,7H2,(H,12,14)(H2,11,15,16)
InChIKeyHJSNVTOXQCGZML-UHFFFAOYSA-N
XLogP0.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide
CID 116815862
4-formamido-N-prop-2-enylbenzamide
CID 64992358
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(sulfamoylamino)benzamide?
The IUPAC name of N-prop-2-enyl-4-(sulfamoylamino)benzamide (CID 112573721) is N-prop-2-enyl-4-(sulfamoylamino)benzamide.
What is the SMILES notation for N-prop-2-enyl-4-(sulfamoylamino)benzamide?
The canonical SMILES for N-prop-2-enyl-4-(sulfamoylamino)benzamide is C=CCNC(=O)c1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of N-prop-2-enyl-4-(sulfamoylamino)benzamide?
The InChIKey is HJSNVTOXQCGZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-7-12-10(14)8-3-5-9(6-4-8)13-17(11,15)16/h2-6,13H,1,7H2,(H,12,14)(H2,11,15,16).
What are the key properties of N-prop-2-enyl-4-(sulfamoylamino)benzamide?
N-prop-2-enyl-4-(sulfamoylamino)benzamide has a molecular weight of 255.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(sulfamoylamino)benzamide is sourced from PubChem (CID 112573721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).