(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate

C8H7Cl2NO4S — CID 116799170

IUPAC(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate
SMILESCc1ccc(Cl)cc1OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2NO4S/c1-5-2-3-6(9)4-7(5)15-8(12)11-16(10,13)14/h2-4H,1H3,(H,11,12)
InChIKeyZCZPZAAWSZSORE-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.22
Rot. Bonds2

About (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate

(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate (PubChem CID 116799170) has the molecular formula C8H7Cl2NO4S and a molecular weight of 284.12 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate
PubChem CID116799170
Molecular FormulaC8H7Cl2NO4S
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC Name(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate
SMILESCc1ccc(Cl)cc1OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2NO4S/c1-5-2-3-6(9)4-7(5)15-8(12)11-16(10,13)14/h2-4H,1H3,(H,11,12)
InChIKeyZCZPZAAWSZSORE-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4,5-trichlorophenyl) N-chlorosulfonylcarbamate
CID 116799063
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321
(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
CID 107669992
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
methyl N-[4-[[2-(5-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonylcarbamate
CID 137373673
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
CID 82283722
4-chloro-2-methylsulfonyloxybenzoic acid
CID 18977944
methyl N-(2,5-dichlorophenoxy)carbamate
CID 14391361
(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate
CID 116799018
methyl 4-(5-chloro-2-methylphenoxy)-2-ethylbut-2-enoate
CID 77100813

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate (CID 116799170) is (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate is Cc1ccc(Cl)cc1OC(=O)NS(=O)(=O)Cl.
What is the InChIKey of (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate?
The InChIKey is ZCZPZAAWSZSORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO4S/c1-5-2-3-6(9)4-7(5)15-8(12)11-16(10,13)14/h2-4H,1H3,(H,11,12).
What are the key properties of (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate?
(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate has a molecular weight of 284.12 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 116799170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).