propan-2-yl 2-chloro-6-sulfamoylbenzoate

C10H12ClNO4S — CID 16921

IUPACpropan-2-yl 2-chloro-6-sulfamoylbenzoate
SMILESCC(C)OC(=O)c1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C10H12ClNO4S/c1-6(2)16-10(13)9-7(11)4-3-5-8(9)17(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyUCUUOTCLCHPTTJ-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.55
Rot. Bonds3

About propan-2-yl 2-chloro-6-sulfamoylbenzoate

propan-2-yl 2-chloro-6-sulfamoylbenzoate (PubChem CID 16921) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is propan-2-yl 2-chloro-6-sulfamoylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-chloro-6-sulfamoylbenzoate
PubChem CID16921
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Namepropan-2-yl 2-chloro-6-sulfamoylbenzoate
SMILESCC(C)OC(=O)c1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C10H12ClNO4S/c1-6(2)16-10(13)9-7(11)4-3-5-8(9)17(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyUCUUOTCLCHPTTJ-UHFFFAOYSA-N
XLogP1.55
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-chloro-6-sulfamoylbenzoate?
The IUPAC name of propan-2-yl 2-chloro-6-sulfamoylbenzoate (CID 16921) is propan-2-yl 2-chloro-6-sulfamoylbenzoate.
What is the SMILES notation for propan-2-yl 2-chloro-6-sulfamoylbenzoate?
The canonical SMILES for propan-2-yl 2-chloro-6-sulfamoylbenzoate is CC(C)OC(=O)c1c(Cl)cccc1S(N)(=O)=O.
What is the InChIKey of propan-2-yl 2-chloro-6-sulfamoylbenzoate?
The InChIKey is UCUUOTCLCHPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-6(2)16-10(13)9-7(11)4-3-5-8(9)17(12,14)15/h3-6H,1-2H3,(H2,12,14,15).
What are the key properties of propan-2-yl 2-chloro-6-sulfamoylbenzoate?
propan-2-yl 2-chloro-6-sulfamoylbenzoate has a molecular weight of 277.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-chloro-6-sulfamoylbenzoate is sourced from PubChem (CID 16921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).