4-(prop-2-enoylamino)-N-sulfamoylbenzamide

C10H11N3O4S — CID 20608051

IUPAC4-(prop-2-enoylamino)-N-sulfamoylbenzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NS(N)(=O)=O)cc1
InChIInChI=1S/C10H11N3O4S/c1-2-9(14)12-8-5-3-7(4-6-8)10(15)13-18(11,16)17/h2-6H,1H2,(H,12,14)(H,13,15)(H2,11,16,17)
InChIKeyJDWAKUUNNYKUMA-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.26
Rot. Bonds4

About 4-(prop-2-enoylamino)-N-sulfamoylbenzamide

4-(prop-2-enoylamino)-N-sulfamoylbenzamide (PubChem CID 20608051) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(prop-2-enoylamino)-N-sulfamoylbenzamide.

Molecular Properties

Compound Name4-(prop-2-enoylamino)-N-sulfamoylbenzamide
PubChem CID20608051
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-(prop-2-enoylamino)-N-sulfamoylbenzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NS(N)(=O)=O)cc1
InChIInChI=1S/C10H11N3O4S/c1-2-9(14)12-8-5-3-7(4-6-8)10(15)13-18(11,16)17/h2-6H,1H2,(H,12,14)(H,13,15)(H2,11,16,17)
InChIKeyJDWAKUUNNYKUMA-UHFFFAOYSA-N
XLogP-0.26
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide
CID 166405776
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 43616637
4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide
CID 167860533
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
cyclopropylmethyl 4-(prop-2-enoylamino)benzoate
CID 166403261

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoylamino)-N-sulfamoylbenzamide?
The IUPAC name of 4-(prop-2-enoylamino)-N-sulfamoylbenzamide (CID 20608051) is 4-(prop-2-enoylamino)-N-sulfamoylbenzamide.
What is the SMILES notation for 4-(prop-2-enoylamino)-N-sulfamoylbenzamide?
The canonical SMILES for 4-(prop-2-enoylamino)-N-sulfamoylbenzamide is C=CC(=O)Nc1ccc(C(=O)NS(N)(=O)=O)cc1.
What is the InChIKey of 4-(prop-2-enoylamino)-N-sulfamoylbenzamide?
The InChIKey is JDWAKUUNNYKUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-2-9(14)12-8-5-3-7(4-6-8)10(15)13-18(11,16)17/h2-6H,1H2,(H,12,14)(H,13,15)(H2,11,16,17).
What are the key properties of 4-(prop-2-enoylamino)-N-sulfamoylbenzamide?
4-(prop-2-enoylamino)-N-sulfamoylbenzamide has a molecular weight of 269.28 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoylamino)-N-sulfamoylbenzamide is sourced from PubChem (CID 20608051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).