4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide

C16H18N2O5S — CID 47059390

IUPAC4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1CO
InChIInChI=1S/C16H18N2O5S/c1-2-23-15-8-5-13(9-12(15)10-19)18-24(21,22)14-6-3-11(4-7-14)16(17)20/h3-9,18-19H,2,10H2,1H3,(H2,17,20)
InChIKeyWZOCPEOCPLJQTD-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.48
Rot. Bonds7

About 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide

4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide (PubChem CID 47059390) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
PubChem CID47059390
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1CO
InChIInChI=1S/C16H18N2O5S/c1-2-23-15-8-5-13(9-12(15)10-19)18-24(21,22)14-6-3-11(4-7-14)16(17)20/h3-9,18-19H,2,10H2,1H3,(H2,17,20)
InChIKeyWZOCPEOCPLJQTD-UHFFFAOYSA-N
XLogP1.48
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
CID 60520911
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815613
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601

Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide (CID 47059390) is 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1CO.
What is the InChIKey of 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is WZOCPEOCPLJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-2-23-15-8-5-13(9-12(15)10-19)18-24(21,22)14-6-3-11(4-7-14)16(17)20/h3-9,18-19H,2,10H2,1H3,(H2,17,20).
What are the key properties of 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide?
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 47059390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).