3-(benzenesulfonamidomethoxy)-N-phenylbenzamide

C20H18N2O4S — CID 70244588

IUPAC3-(benzenesulfonamidomethoxy)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(OCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O4S/c23-20(22-17-9-3-1-4-10-17)16-8-7-11-18(14-16)26-15-21-27(24,25)19-12-5-2-6-13-19/h1-14,21H,15H2,(H,22,23)
InChIKeyVPSVDMSQICEVGA-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.25
Rot. Bonds7

About 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide

3-(benzenesulfonamidomethoxy)-N-phenylbenzamide (PubChem CID 70244588) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamidomethoxy)-N-phenylbenzamide
PubChem CID70244588
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name3-(benzenesulfonamidomethoxy)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(OCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O4S/c23-20(22-17-9-3-1-4-10-17)16-8-7-11-18(14-16)26-15-21-27(24,25)19-12-5-2-6-13-19/h1-14,21H,15H2,(H,22,23)
InChIKeyVPSVDMSQICEVGA-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4957701

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide?
The IUPAC name of 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide (CID 70244588) is 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide?
The canonical SMILES for 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(OCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide?
The InChIKey is VPSVDMSQICEVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-20(22-17-9-3-1-4-10-17)16-8-7-11-18(14-16)26-15-21-27(24,25)19-12-5-2-6-13-19/h1-14,21H,15H2,(H,22,23).
What are the key properties of 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide?
3-(benzenesulfonamidomethoxy)-N-phenylbenzamide has a molecular weight of 382.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamidomethoxy)-N-phenylbenzamide is sourced from PubChem (CID 70244588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).