2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

C21H19ClN2O3S2 — CID 2675123

IUPAC2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C21H19ClN2O3S2/c1-2-12-24(16-7-4-3-5-8-16)29(26,27)18-10-11-20(22)19(14-18)21(25)23-15-17-9-6-13-28-17/h2-11,13-14H,1,12,15H2,(H,23,25)
InChIKeyRDVTUAHIWLHALO-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.71
Rot. Bonds8

About 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2675123) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2675123
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC Name2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C21H19ClN2O3S2/c1-2-12-24(16-7-4-3-5-8-16)29(26,27)18-10-11-20(22)19(14-18)21(25)23-15-17-9-6-13-28-17/h2-11,13-14H,1,12,15H2,(H,23,25)
InChIKeyRDVTUAHIWLHALO-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (CID 2675123) is 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccs2)c1.
What is the InChIKey of 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is RDVTUAHIWLHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c1-2-12-24(16-7-4-3-5-8-16)29(26,27)18-10-11-20(22)19(14-18)21(25)23-15-17-9-6-13-28-17/h2-11,13-14H,1,12,15H2,(H,23,25).
What are the key properties of 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 446.98 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2675123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).