(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate

C13H8Cl3NO5S — CID 136664296

IUPAC(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate
SMILESO=C(NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H8Cl3NO5S/c14-7-5-9(15)12(10(16)6-7)22-23(20,21)17-13(19)8-3-1-2-4-11(8)18/h1-6,18H,(H,17,19)
InChIKeyXIDROECNQVIUFO-UHFFFAOYSA-N
MW396.64 g/mol
LogP3.41
Rot. Bonds4

About (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate

(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate (PubChem CID 136664296) has the molecular formula C13H8Cl3NO5S and a molecular weight of 396.64 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate
PubChem CID136664296
Molecular FormulaC13H8Cl3NO5S
Molecular Weight396.64 g/mol
Exact Mass394.92
IUPAC Name(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate
SMILESO=C(NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H8Cl3NO5S/c14-7-5-9(15)12(10(16)6-7)22-23(20,21)17-13(19)8-3-1-2-4-11(8)18/h1-6,18H,(H,17,19)
InChIKeyXIDROECNQVIUFO-UHFFFAOYSA-N
XLogP3.41
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.64
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate?
The IUPAC name of (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate (CID 136664296) is (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate.
What is the SMILES notation for (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate?
The canonical SMILES for (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate is O=C(NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate?
The InChIKey is XIDROECNQVIUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO5S/c14-7-5-9(15)12(10(16)6-7)22-23(20,21)17-13(19)8-3-1-2-4-11(8)18/h1-6,18H,(H,17,19).
What are the key properties of (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate?
(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate has a molecular weight of 396.64 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate is sourced from PubChem (CID 136664296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).