propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate

C11H15ClN2O4S — CID 114466358

IUPACpropan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C11H15ClN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-5-3-9(7-12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyQBBDFQXJJAQUAW-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.22
Rot. Bonds5

About propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate

propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate (PubChem CID 114466358) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
PubChem CID114466358
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Namepropan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C11H15ClN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-5-3-9(7-12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyQBBDFQXJJAQUAW-UHFFFAOYSA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.22
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

methyl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466361
4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114461975
methyl N-[[4-(2-chloroethyl)phenyl]sulfamoyl]carbamate
CID 114466351
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
CID 114463997
propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
CID 114051889
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169
[4-(chloromethyl)phenyl]sulfamic acid
CID 67380379
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate (CID 114466358) is propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1ccc(CCl)cc1.
What is the InChIKey of propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate?
The InChIKey is QBBDFQXJJAQUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-5-3-9(7-12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate?
propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate has a molecular weight of 306.77 g/mol, XLogP of 2.22, 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-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate is sourced from PubChem (CID 114466358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).