2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate

C15H21Cl3N2O4S — CID 155678497

IUPAC2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H21Cl3N2O4S/c1-3-9-20(10-4-2)25(22,23)13-7-5-12(6-8-13)19-14(21)24-11-15(16,17)18/h5-8H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyVDFDHESUAKVWNP-UHFFFAOYSA-N
MW431.77 g/mol
LogP4.42
Rot. Bonds8

About 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate

2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate (PubChem CID 155678497) has the molecular formula C15H21Cl3N2O4S and a molecular weight of 431.77 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate
PubChem CID155678497
Molecular FormulaC15H21Cl3N2O4S
Molecular Weight431.77 g/mol
Exact Mass430.03
IUPAC Name2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H21Cl3N2O4S/c1-3-9-20(10-4-2)25(22,23)13-7-5-12(6-8-13)19-14(21)24-11-15(16,17)18/h5-8H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyVDFDHESUAKVWNP-UHFFFAOYSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.77
LogP ≤ 54.42
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

N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate
CID 65173666
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
2-(2-tert-butylphenoxy)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 17050666
2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
CID 4946832
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4929164

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate (CID 155678497) is 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate?
The InChIKey is VDFDHESUAKVWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3N2O4S/c1-3-9-20(10-4-2)25(22,23)13-7-5-12(6-8-13)19-14(21)24-11-15(16,17)18/h5-8H,3-4,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate?
2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate has a molecular weight of 431.77 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 155678497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).