tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate

C11H14Cl2N2O4S — CID 8500975

IUPACtert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
SMILESCC(C)(C)OC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O4S/c1-11(2,3)19-10(16)14-15-20(17,18)9-5-7(12)4-8(13)6-9/h4-6,15H,1-3H3,(H,14,16)
InChIKeyQMZSXYIMDWMIMD-UHFFFAOYSA-N
MW341.22 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate

tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate (PubChem CID 8500975) has the molecular formula C11H14Cl2N2O4S and a molecular weight of 341.22 g/mol. Its IUPAC name is tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
PubChem CID8500975
Molecular FormulaC11H14Cl2N2O4S
Molecular Weight341.22 g/mol
Exact Mass340.01
IUPAC Nametert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
SMILESCC(C)(C)OC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O4S/c1-11(2,3)19-10(16)14-15-20(17,18)9-5-7(12)4-8(13)6-9/h4-6,15H,1-3H3,(H,14,16)
InChIKeyQMZSXYIMDWMIMD-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8501036
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976
tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966
tert-butyl N-[(3-aminophenyl)sulfonylamino]carbamate
CID 59912049
tert-butyl N-[(2,5-dimethylphenyl)sulfonylamino]carbamate
CID 8500958
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
CID 8500965
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015
N-cyclopropyl-2-[2-(3,5-dichlorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841266
3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 64699972
3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
The IUPAC name of tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate (CID 8500975) is tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
The canonical SMILES for tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate is CC(C)(C)OC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
The InChIKey is QMZSXYIMDWMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S/c1-11(2,3)19-10(16)14-15-20(17,18)9-5-7(12)4-8(13)6-9/h4-6,15H,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate has a molecular weight of 341.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate is sourced from PubChem (CID 8500975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).