propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate

C11H15BrN2O4S — CID 114466730

IUPACpropan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccccc1CBr
InChIInChI=1S/C11H15BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-6-4-3-5-9(10)7-12/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyWKEPADZIDAUNIE-UHFFFAOYSA-N
MW351.22 g/mol
LogP2.37
Rot. Bonds5

About propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate

propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate (PubChem CID 114466730) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
PubChem CID114466730
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Namepropan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccccc1CBr
InChIInChI=1S/C11H15BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-6-4-3-5-9(10)7-12/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyWKEPADZIDAUNIE-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
CID 114463811
propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
CID 114461222
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
CID 114464725
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466358
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate (CID 114466730) is propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1ccccc1CBr.
What is the InChIKey of propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate?
The InChIKey is WKEPADZIDAUNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-6-4-3-5-9(10)7-12/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate?
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate has a molecular weight of 351.22 g/mol, XLogP of 2.37, 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-(bromomethyl)phenyl]sulfamoyl]carbamate is sourced from PubChem (CID 114466730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).