3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide

C16H15ClN2O3S — CID 4570113

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3S/c1-2-10-18-16(20)12-4-3-5-14(11-12)19-23(21,22)15-8-6-13(17)7-9-15/h2-9,11,19H,1,10H2,(H,18,20)
InChIKeyOGERZLGSBBYVDO-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.06
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide

3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 4570113) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID4570113
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3S/c1-2-10-18-16(20)12-4-3-5-14(11-12)19-23(21,22)15-8-6-13(17)7-9-15/h2-9,11,19H,1,10H2,(H,18,20)
InChIKeyOGERZLGSBBYVDO-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 4570113) is 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is OGERZLGSBBYVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-2-10-18-16(20)12-4-3-5-14(11-12)19-23(21,22)15-8-6-13(17)7-9-15/h2-9,11,19H,1,10H2,(H,18,20).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 350.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 4570113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).