(2,4,6-trichlorophenyl) sulfamate

C6H4Cl3NO3S — CID 10923837

IUPAC(2,4,6-trichlorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3NO3S/c7-3-1-4(8)6(5(9)2-3)13-14(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyYZGYKEJWCZUPMT-UHFFFAOYSA-N
MW276.53 g/mol
LogP2.23
Rot. Bonds2

About (2,4,6-trichlorophenyl) sulfamate

(2,4,6-trichlorophenyl) sulfamate (PubChem CID 10923837) has the molecular formula C6H4Cl3NO3S and a molecular weight of 276.53 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl) sulfamate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl) sulfamate
PubChem CID10923837
Molecular FormulaC6H4Cl3NO3S
Molecular Weight276.53 g/mol
Exact Mass274.90
IUPAC Name(2,4,6-trichlorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3NO3S/c7-3-1-4(8)6(5(9)2-3)13-14(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyYZGYKEJWCZUPMT-UHFFFAOYSA-N
XLogP2.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trichlorophenol
CID 6914
Sodium 2,4,6-trichlorophenoxide
CID 23678873
Sodium 2,4-dichlorophenolate
CID 23678872
Phenol, 2,4-dichloro-, methanesulfonate
CID 77264
4-Chlorophenyl Sulfamate
CID 10104483
2,4,6-Trichlorophen-3,5-d2-ol
CID 71309017
2,4,6-Trichlorophenolate
CID 13031202
4-Chlorophenyl chloranesulfonate
CID 12741185
2,4,6-Trichlorophenyl methanesulfonate
CID 4411036
O-(2-Chlorophenyl)hydroxylamine
CID 13574894
(2,4,6-Trichlorophenyl) ethenesulfonate
CID 3123242
3-Chlorophenyl sulfamate
CID 19108716

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl) sulfamate?
The IUPAC name of (2,4,6-trichlorophenyl) sulfamate (CID 10923837) is (2,4,6-trichlorophenyl) sulfamate.
What is the SMILES notation for (2,4,6-trichlorophenyl) sulfamate?
The canonical SMILES for (2,4,6-trichlorophenyl) sulfamate is NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2,4,6-trichlorophenyl) sulfamate?
The InChIKey is YZGYKEJWCZUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO3S/c7-3-1-4(8)6(5(9)2-3)13-14(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of (2,4,6-trichlorophenyl) sulfamate?
(2,4,6-trichlorophenyl) sulfamate has a molecular weight of 276.53 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl) sulfamate is sourced from PubChem (CID 10923837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).