[2-(prop-2-enylamino)phenyl]sulfonylurea

C10H13N3O3S — CID 67715537

IUPAC[2-(prop-2-enylamino)phenyl]sulfonylurea
SMILESC=CCNc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C10H13N3O3S/c1-2-7-12-8-5-3-4-6-9(8)17(15,16)13-10(11)14/h2-6,12H,1,7H2,(H3,11,13,14)
InChIKeyKCXGSLNIVXRSBQ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.64
Rot. Bonds5

About [2-(prop-2-enylamino)phenyl]sulfonylurea

[2-(prop-2-enylamino)phenyl]sulfonylurea (PubChem CID 67715537) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is [2-(prop-2-enylamino)phenyl]sulfonylurea.

Molecular Properties

Compound Name[2-(prop-2-enylamino)phenyl]sulfonylurea
PubChem CID67715537
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name[2-(prop-2-enylamino)phenyl]sulfonylurea
SMILESC=CCNc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C10H13N3O3S/c1-2-7-12-8-5-3-4-6-9(8)17(15,16)13-10(11)14/h2-6,12H,1,7H2,(H3,11,13,14)
InChIKeyKCXGSLNIVXRSBQ-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174363947
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[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
cyclobutane;(2-methylphenyl)sulfonylurea
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1,8-bis(prop-2-enylamino)anthracene-9,10-dione
CID 66781266
N-naphthalen-1-ylsulfonylpent-4-enamide
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N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-(1-hydrazinylethenyl)-N-prop-2-enylaniline
CID 166838231
trans-(1R,2S)-1-amino-2-ethenyl-N-[2-(hexylamino)phenyl]sulfonylcyclopropane-1-carboxamide
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CID 143563480

Frequently Asked Questions

What is the IUPAC name of [2-(prop-2-enylamino)phenyl]sulfonylurea?
The IUPAC name of [2-(prop-2-enylamino)phenyl]sulfonylurea (CID 67715537) is [2-(prop-2-enylamino)phenyl]sulfonylurea.
What is the SMILES notation for [2-(prop-2-enylamino)phenyl]sulfonylurea?
The canonical SMILES for [2-(prop-2-enylamino)phenyl]sulfonylurea is C=CCNc1ccccc1S(=O)(=O)NC(N)=O.
What is the InChIKey of [2-(prop-2-enylamino)phenyl]sulfonylurea?
The InChIKey is KCXGSLNIVXRSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-7-12-8-5-3-4-6-9(8)17(15,16)13-10(11)14/h2-6,12H,1,7H2,(H3,11,13,14).
What are the key properties of [2-(prop-2-enylamino)phenyl]sulfonylurea?
[2-(prop-2-enylamino)phenyl]sulfonylurea has a molecular weight of 255.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(prop-2-enylamino)phenyl]sulfonylurea is sourced from PubChem (CID 67715537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).