ethane;1-(4-sulfamoylphenyl)ethyl acetate

C12H19NO4S — CID 143172857

IUPACethane;1-(4-sulfamoylphenyl)ethyl acetate
SMILESCC.CC(=O)OC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13NO4S.C2H6/c1-7(15-8(2)12)9-3-5-10(6-4-9)16(11,13)14;1-2/h3-7H,1-2H3,(H2,11,13,14);1-2H3
InChIKeyCBYRLGSPXYFVMY-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.98
Rot. Bonds3

About ethane;1-(4-sulfamoylphenyl)ethyl acetate

ethane;1-(4-sulfamoylphenyl)ethyl acetate (PubChem CID 143172857) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is ethane;1-(4-sulfamoylphenyl)ethyl acetate.

Molecular Properties

Compound Nameethane;1-(4-sulfamoylphenyl)ethyl acetate
PubChem CID143172857
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Nameethane;1-(4-sulfamoylphenyl)ethyl acetate
SMILESCC.CC(=O)OC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13NO4S.C2H6/c1-7(15-8(2)12)9-3-5-10(6-4-9)16(11,13)14;1-2/h3-7H,1-2H3,(H2,11,13,14);1-2H3
InChIKeyCBYRLGSPXYFVMY-UHFFFAOYSA-N
XLogP1.98
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289
1-(4-sulfamoylphenyl)ethyl tetradecanoate
CID 139816764
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl acetate
CID 87975646
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-sulfamoylphenyl)ethyl acetate?
The IUPAC name of ethane;1-(4-sulfamoylphenyl)ethyl acetate (CID 143172857) is ethane;1-(4-sulfamoylphenyl)ethyl acetate.
What is the SMILES notation for ethane;1-(4-sulfamoylphenyl)ethyl acetate?
The canonical SMILES for ethane;1-(4-sulfamoylphenyl)ethyl acetate is CC.CC(=O)OC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethane;1-(4-sulfamoylphenyl)ethyl acetate?
The InChIKey is CBYRLGSPXYFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S.C2H6/c1-7(15-8(2)12)9-3-5-10(6-4-9)16(11,13)14;1-2/h3-7H,1-2H3,(H2,11,13,14);1-2H3.
What are the key properties of ethane;1-(4-sulfamoylphenyl)ethyl acetate?
ethane;1-(4-sulfamoylphenyl)ethyl acetate has a molecular weight of 273.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-sulfamoylphenyl)ethyl acetate is sourced from PubChem (CID 143172857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).