benzyl [ethyl(phenyl)sulfamoyl]formate

C16H17NO4S — CID 137443874

IUPACbenzyl [ethyl(phenyl)sulfamoyl]formate
SMILESCCN(c1ccccc1)S(=O)(=O)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-2-17(15-11-7-4-8-12-15)22(19,20)16(18)21-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyWFPBYRXDTVUQGH-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.18
Rot. Bonds5

About benzyl [ethyl(phenyl)sulfamoyl]formate

benzyl [ethyl(phenyl)sulfamoyl]formate (PubChem CID 137443874) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is benzyl [ethyl(phenyl)sulfamoyl]formate.

Molecular Properties

Compound Namebenzyl [ethyl(phenyl)sulfamoyl]formate
PubChem CID137443874
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namebenzyl [ethyl(phenyl)sulfamoyl]formate
SMILESCCN(c1ccccc1)S(=O)(=O)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-2-17(15-11-7-4-8-12-15)22(19,20)16(18)21-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyWFPBYRXDTVUQGH-UHFFFAOYSA-N
XLogP3.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3591445
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl acetate
CID 8785
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl propanoate;hydrochloride
CID 140986165
benzyl 2-(N-propylanilino)propanoate
CID 174478380
benzyl N-(N-phenylanilino)carbamate
CID 71360694

Frequently Asked Questions

What is the IUPAC name of benzyl [ethyl(phenyl)sulfamoyl]formate?
The IUPAC name of benzyl [ethyl(phenyl)sulfamoyl]formate (CID 137443874) is benzyl [ethyl(phenyl)sulfamoyl]formate.
What is the SMILES notation for benzyl [ethyl(phenyl)sulfamoyl]formate?
The canonical SMILES for benzyl [ethyl(phenyl)sulfamoyl]formate is CCN(c1ccccc1)S(=O)(=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl [ethyl(phenyl)sulfamoyl]formate?
The InChIKey is WFPBYRXDTVUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-17(15-11-7-4-8-12-15)22(19,20)16(18)21-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3.
What are the key properties of benzyl [ethyl(phenyl)sulfamoyl]formate?
benzyl [ethyl(phenyl)sulfamoyl]formate has a molecular weight of 319.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [ethyl(phenyl)sulfamoyl]formate is sourced from PubChem (CID 137443874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).