4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C21H23ClN2O4S — CID 4782416

IUPAC4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)ccc1Cl
InChIInChI=1S/C21H23ClN2O4S/c1-2-12-24(17-7-4-3-5-8-17)29(26,27)20-14-16(10-11-19(20)22)21(25)23-15-18-9-6-13-28-18/h2-5,7-8,10-11,14,18H,1,6,9,12-13,15H2,(H,23,25)
InChIKeyXOFVIEFNZSVTGJ-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.63
Rot. Bonds8

About 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 4782416) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID4782416
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)ccc1Cl
InChIInChI=1S/C21H23ClN2O4S/c1-2-12-24(17-7-4-3-5-8-17)29(26,27)20-14-16(10-11-19(20)22)21(25)23-15-18-9-6-13-28-18/h2-5,7-8,10-11,14,18H,1,6,9,12-13,15H2,(H,23,25)
InChIKeyXOFVIEFNZSVTGJ-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837097
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 4782416) is 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is XOFVIEFNZSVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-2-12-24(17-7-4-3-5-8-17)29(26,27)20-14-16(10-11-19(20)22)21(25)23-15-18-9-6-13-28-18/h2-5,7-8,10-11,14,18H,1,6,9,12-13,15H2,(H,23,25).
What are the key properties of 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 434.95 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 4782416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).