(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate

C8H9ClN2O4S — CID 175309574

IUPAC(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate
SMILESCS(=O)(=O)c1cc(Cl)cnc1COC(N)=O
InChIInChI=1S/C8H9ClN2O4S/c1-16(13,14)7-2-5(9)3-11-6(7)4-15-8(10)12/h2-3H,4H2,1H3,(H2,10,12)
InChIKeyQWYNYJMKCZTIBG-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.73
Rot. Bonds3

About (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate

(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate (PubChem CID 175309574) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate
PubChem CID175309574
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Name(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate
SMILESCS(=O)(=O)c1cc(Cl)cnc1COC(N)=O
InChIInChI=1S/C8H9ClN2O4S/c1-16(13,14)7-2-5(9)3-11-6(7)4-15-8(10)12/h2-3H,4H2,1H3,(H2,10,12)
InChIKeyQWYNYJMKCZTIBG-UHFFFAOYSA-N
XLogP0.73
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine
CID 171049262
(5-methylsulfonyl-2-pyridinyl)methyl carbamate
CID 175103370
2-(5-chloro-3-hydroxy-2-pyridinyl)acetamide
CID 133058864
(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
CID 175147070
5-chloro-2-ethoxypyridine-3-sulfonyl chloride
CID 126662502
(2-chloro-1,3-thiazol-5-yl)methyl carbamate
CID 126697211
4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
CID 172624279
2-bromo-1-(5-chloro-3-ethylsulfonyl-2-pyridinyl)ethanone
CID 121320668
N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide
CID 130302600
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine
CID 67427976

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate?
The IUPAC name of (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate (CID 175309574) is (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate.
What is the SMILES notation for (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate?
The canonical SMILES for (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate is CS(=O)(=O)c1cc(Cl)cnc1COC(N)=O.
What is the InChIKey of (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate?
The InChIKey is QWYNYJMKCZTIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c1-16(13,14)7-2-5(9)3-11-6(7)4-15-8(10)12/h2-3H,4H2,1H3,(H2,10,12).
What are the key properties of (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate?
(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate has a molecular weight of 264.69 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate is sourced from PubChem (CID 175309574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).