propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate

C11H15BrN2O4S — CID 114463811

IUPACpropan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C11H15BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-7-9-5-3-4-6-10(9)12/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyPOKPANGZYHGGBW-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.92
Rot. Bonds5

About propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate

propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate (PubChem CID 114463811) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
PubChem CID114463811
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Namepropan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C11H15BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-7-9-5-3-4-6-10(9)12/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyPOKPANGZYHGGBW-UHFFFAOYSA-N
XLogP1.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
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propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
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propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560
ethyl (2S)-2-(benzylsulfamoylcarbamoyloxy)propanoate
CID 10758791
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
methyl 4-[(2-bromophenyl)methylsulfamoyl]butanoate
CID 61457372
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
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2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate (CID 114463811) is propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCc1ccccc1Br.
What is the InChIKey of propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate?
The InChIKey is POKPANGZYHGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-7-9-5-3-4-6-10(9)12/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate?
propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate has a molecular weight of 351.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate is sourced from PubChem (CID 114463811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).