(3-chlorophenyl) N-methoxysulfonylcarbamate

C8H8ClNO5S — CID 10778122

IUPAC(3-chlorophenyl) N-methoxysulfonylcarbamate
SMILESCOS(=O)(=O)NC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO5S/c1-14-16(12,13)10-8(11)15-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
InChIKeyACVJLQLBNBLYJP-UHFFFAOYSA-N
MW265.67 g/mol
LogP1.32
Rot. Bonds3

About (3-chlorophenyl) N-methoxysulfonylcarbamate

(3-chlorophenyl) N-methoxysulfonylcarbamate (PubChem CID 10778122) has the molecular formula C8H8ClNO5S and a molecular weight of 265.67 g/mol. Its IUPAC name is (3-chlorophenyl) N-methoxysulfonylcarbamate.

Molecular Properties

Compound Name(3-chlorophenyl) N-methoxysulfonylcarbamate
PubChem CID10778122
Molecular FormulaC8H8ClNO5S
Molecular Weight265.67 g/mol
Exact Mass264.98
IUPAC Name(3-chlorophenyl) N-methoxysulfonylcarbamate
SMILESCOS(=O)(=O)NC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO5S/c1-14-16(12,13)10-8(11)15-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
InChIKeyACVJLQLBNBLYJP-UHFFFAOYSA-N
XLogP1.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl) 2-bromopropanoate
CID 87059196
(3-chlorophenyl) N-pentan-2-ylcarbamate
CID 174677253
(3-chlorophenyl) 3-methylbut-2-enoate
CID 12733013
(3-chlorophenyl) hydrogen sulfate
CID 69041197
(3-chlorophenyl) N-[(1S)-2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]carbamate
CID 1014610
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(3-chlorophenyl) prop-2-enoate
CID 10241458
[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate
CID 59364471
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
(3-chlorophenyl) 2,2,2-trichloroethyl carbonate
CID 91713201
(3-chlorophenyl) 5-hydroxypentanoate
CID 174546388

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) N-methoxysulfonylcarbamate?
The IUPAC name of (3-chlorophenyl) N-methoxysulfonylcarbamate (CID 10778122) is (3-chlorophenyl) N-methoxysulfonylcarbamate.
What is the SMILES notation for (3-chlorophenyl) N-methoxysulfonylcarbamate?
The canonical SMILES for (3-chlorophenyl) N-methoxysulfonylcarbamate is COS(=O)(=O)NC(=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) N-methoxysulfonylcarbamate?
The InChIKey is ACVJLQLBNBLYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO5S/c1-14-16(12,13)10-8(11)15-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11).
What are the key properties of (3-chlorophenyl) N-methoxysulfonylcarbamate?
(3-chlorophenyl) N-methoxysulfonylcarbamate has a molecular weight of 265.67 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) N-methoxysulfonylcarbamate is sourced from PubChem (CID 10778122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).