N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride

C16H15ClF3NO3S — CID 151674085

IUPACN-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)N(COCc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c17-25(22,23)21(12-24-11-14-4-2-1-3-5-14)10-13-6-8-15(9-7-13)16(18,19)20/h1-9H,10-12H2
InChIKeyQZDUAINJSGSDSX-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.17
Rot. Bonds7

About N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride

N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride (PubChem CID 151674085) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride
PubChem CID151674085
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC NameN-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)N(COCc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c17-25(22,23)21(12-24-11-14-4-2-1-3-5-14)10-13-6-8-15(9-7-13)16(18,19)20/h1-9H,10-12H2
InChIKeyQZDUAINJSGSDSX-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-(phenylmethoxymethyl)-3-[4-(trifluoromethyl)phenyl]propanal
CID 170120976
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
benzyl N,N-dibenzylsulfamate
CID 22184355
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
4-(phenylmethoxymethyl)benzenesulfonyl chloride
CID 11066402
[4-(phenylmethoxymethyl)phenyl] trifluoromethanesulfonate
CID 122380140
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
5-(phenylmethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 91327581

Frequently Asked Questions

What is the IUPAC name of N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride?
The IUPAC name of N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride (CID 151674085) is N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride.
What is the SMILES notation for N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride?
The canonical SMILES for N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride is O=S(=O)(Cl)N(COCc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride?
The InChIKey is QZDUAINJSGSDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c17-25(22,23)21(12-24-11-14-4-2-1-3-5-14)10-13-6-8-15(9-7-13)16(18,19)20/h1-9H,10-12H2.
What are the key properties of N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride?
N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride has a molecular weight of 393.81 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylmethoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl chloride is sourced from PubChem (CID 151674085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).