(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate

C9H7ClN2O5S — CID 103568502

IUPAC(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate
SMILESCOc1cc(C#N)cc(OC(=O)NS(=O)(=O)Cl)c1
InChIInChI=1S/C9H7ClN2O5S/c1-16-7-2-6(5-11)3-8(4-7)17-9(13)12-18(10,14)15/h2-4H,1H3,(H,12,13)
InChIKeyQNXOKCGDNQHTJL-UHFFFAOYSA-N
MW290.68 g/mol
LogP1.14
Rot. Bonds3

About (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate

(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate (PubChem CID 103568502) has the molecular formula C9H7ClN2O5S and a molecular weight of 290.68 g/mol. Its IUPAC name is (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate
PubChem CID103568502
Molecular FormulaC9H7ClN2O5S
Molecular Weight290.68 g/mol
Exact Mass289.98
IUPAC Name(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate
SMILESCOc1cc(C#N)cc(OC(=O)NS(=O)(=O)Cl)c1
InChIInChI=1S/C9H7ClN2O5S/c1-16-7-2-6(5-11)3-8(4-7)17-9(13)12-18(10,14)15/h2-4H,1H3,(H,12,13)
InChIKeyQNXOKCGDNQHTJL-UHFFFAOYSA-N
XLogP1.14
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-cyano-2-methylphenyl) N-chlorosulfonylcarbamate
CID 107663068
(4-chloro-3,5-dimethylphenyl) N-chlorosulfonylcarbamate
CID 116799118
(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
CID 107669992
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid
CID 103566207
2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 103566935
2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 103567041
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
CID 103568365
ethyl 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetate
CID 103566244

Frequently Asked Questions

What is the IUPAC name of (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate (CID 103568502) is (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate is COc1cc(C#N)cc(OC(=O)NS(=O)(=O)Cl)c1.
What is the InChIKey of (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate?
The InChIKey is QNXOKCGDNQHTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O5S/c1-16-7-2-6(5-11)3-8(4-7)17-9(13)12-18(10,14)15/h2-4H,1H3,(H,12,13).
What are the key properties of (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate?
(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate has a molecular weight of 290.68 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 103568502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).