propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate

C8H14ClF3N2O4S — CID 107493090

IUPACpropan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H14ClF3N2O4S/c1-6(2)18-7(15)13-19(16,17)14(4-3-9)5-8(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeyDEIVJUOIGIANEB-UHFFFAOYSA-N
MW326.72 g/mol
LogP1.47
Rot. Bonds6

About propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate

propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate (PubChem CID 107493090) has the molecular formula C8H14ClF3N2O4S and a molecular weight of 326.72 g/mol. Its IUPAC name is propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
PubChem CID107493090
Molecular FormulaC8H14ClF3N2O4S
Molecular Weight326.72 g/mol
Exact Mass326.03
IUPAC Namepropan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H14ClF3N2O4S/c1-6(2)18-7(15)13-19(16,17)14(4-3-9)5-8(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeyDEIVJUOIGIANEB-UHFFFAOYSA-N
XLogP1.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.72
LogP ≤ 51.47
H-Bond Donors ≤ 51
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-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
CID 114465106
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
CID 114467490
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate (CID 107493090) is propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate?
The InChIKey is DEIVJUOIGIANEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF3N2O4S/c1-6(2)18-7(15)13-19(16,17)14(4-3-9)5-8(10,11)12/h6H,3-5H2,1-2H3,(H,13,15).
What are the key properties of propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate?
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate has a molecular weight of 326.72 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate is sourced from PubChem (CID 107493090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).