(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate

C9H10ClNO6S — CID 86254069

IUPAC(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate
SMILESCOc1cccc(OC)c1OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C9H10ClNO6S/c1-15-6-4-3-5-7(16-2)8(6)17-9(12)11-18(10,13)14/h3-5H,1-2H3,(H,11,12)
InChIKeyUCNOSNKNNGIAAR-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.28
Rot. Bonds4

About (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate

(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate (PubChem CID 86254069) has the molecular formula C9H10ClNO6S and a molecular weight of 295.70 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate
PubChem CID86254069
Molecular FormulaC9H10ClNO6S
Molecular Weight295.70 g/mol
Exact Mass294.99
IUPAC Name(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate
SMILESCOc1cccc(OC)c1OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C9H10ClNO6S/c1-15-6-4-3-5-7(16-2)8(6)17-9(12)11-18(10,13)14/h3-5H,1-2H3,(H,11,12)
InChIKeyUCNOSNKNNGIAAR-UHFFFAOYSA-N
XLogP1.28
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate
CID 18922280
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
tert-butyl (2,6-dimethoxyphenyl) carbonate
CID 19982983
(2,6-dimethoxyphenyl) N-(2,5-dimethoxyphenyl)carbamate
CID 3325255
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate
CID 116799018
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
CID 166044944

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate (CID 86254069) is (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate is COc1cccc(OC)c1OC(=O)NS(=O)(=O)Cl.
What is the InChIKey of (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate?
The InChIKey is UCNOSNKNNGIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO6S/c1-15-6-4-3-5-7(16-2)8(6)17-9(12)11-18(10,13)14/h3-5H,1-2H3,(H,11,12).
What are the key properties of (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate?
(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate has a molecular weight of 295.70 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 86254069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).