ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate

C11H14N2O5S — CID 874302

IUPACethyl N-[4-(acetylsulfamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-3-18-11(15)12-9-4-6-10(7-5-9)19(16,17)13-8(2)14/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyKQUINHLCZBHYMX-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.08
Rot. Bonds4

About ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate

ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate (PubChem CID 874302) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(acetylsulfamoyl)phenyl]carbamate
PubChem CID874302
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Nameethyl N-[4-(acetylsulfamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-3-18-11(15)12-9-4-6-10(7-5-9)19(16,17)13-8(2)14/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyKQUINHLCZBHYMX-UHFFFAOYSA-N
XLogP1.08
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfacetamide
CID 5320
Asulam
CID 18752
N4-Acetylsulfanilamide
CID 8482
Asulam-sodium
CID 13389335
N-Acetylsulfanilyl chloride
CID 8481
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Sulfasuccinamide
CID 60582
Carbasulam
CID 15679
2-cyano-N-(4-sulfamoylphenyl)acetamide
CID 2357187
Benzenesulfonyl fluoride, 4-(acetylamino)-
CID 67608
2,2,2-trifluoro-N-(4-sulfamoylphenyl)acetamide
CID 235259
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate (CID 874302) is ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate?
The InChIKey is KQUINHLCZBHYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-3-18-11(15)12-9-4-6-10(7-5-9)19(16,17)13-8(2)14/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate?
ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate has a molecular weight of 286.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(acetylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 874302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).