propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate

C10H12ClNO4S — CID 521360

IUPACpropan-2-yl N-(4-chlorophenyl)sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4S/c1-7(2)16-10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyVJAFDXPHYHGHLX-UHFFFAOYSA-N
MW277.73 g/mol
LogP2.16
Rot. Bonds3

About propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate

propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate (PubChem CID 521360) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-chlorophenyl)sulfonylcarbamate
PubChem CID521360
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Namepropan-2-yl N-(4-chlorophenyl)sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4S/c1-7(2)16-10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyVJAFDXPHYHGHLX-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate?
The IUPAC name of propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate (CID 521360) is propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate?
The InChIKey is VJAFDXPHYHGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7(2)16-10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate?
propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate has a molecular weight of 277.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 521360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).