(3-cyanophenyl)methanesulfonyl chloride

C8H6ClNO2S — CID 16774314

IUPAC(3-cyanophenyl)methanesulfonyl chloride
SMILESN#Cc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-3-1-2-7(4-8)5-10/h1-4H,6H2
InChIKeyYNWYDZBBHOWDAE-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.63
Rot. Bonds2

About (3-cyanophenyl)methanesulfonyl chloride

(3-cyanophenyl)methanesulfonyl chloride (PubChem CID 16774314) has the molecular formula C8H6ClNO2S and a molecular weight of 215.66 g/mol. Its IUPAC name is (3-cyanophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-cyanophenyl)methanesulfonyl chloride
PubChem CID16774314
Molecular FormulaC8H6ClNO2S
Molecular Weight215.66 g/mol
Exact Mass214.98
IUPAC Name(3-cyanophenyl)methanesulfonyl chloride
SMILESN#Cc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-3-1-2-7(4-8)5-10/h1-4H,6H2
InChIKeyYNWYDZBBHOWDAE-UHFFFAOYSA-N
XLogP1.63
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 39497
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CID 2801360
2-Cyanobenzenesulfonyl Chloride
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(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride
CID 154716018
(3-methylphenyl)methanesulfonyl Chloride
CID 2760662
(4-Cyanophenyl)methanesulfonyl chloride
CID 15480555
(4-Cyanophenyl)methanesulfonamide
CID 7131562
1-(2-Cyanophenyl)methanesulfonamide
CID 7131561
(E)-2-methylsulfonyl-3-phenylprop-2-enenitrile
CID 8828251
2-(Cyanomethyl)benzene-1-sulfonyl chloride
CID 12593131
(2-Cyanophenyl)methanesulfonyl chloride
CID 14275690
(3,5-Dimethylphenyl)methanesulfonyl chloride
CID 17805035

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methanesulfonyl chloride?
The IUPAC name of (3-cyanophenyl)methanesulfonyl chloride (CID 16774314) is (3-cyanophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-cyanophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-cyanophenyl)methanesulfonyl chloride is N#Cc1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of (3-cyanophenyl)methanesulfonyl chloride?
The InChIKey is YNWYDZBBHOWDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-3-1-2-7(4-8)5-10/h1-4H,6H2.
What are the key properties of (3-cyanophenyl)methanesulfonyl chloride?
(3-cyanophenyl)methanesulfonyl chloride has a molecular weight of 215.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methanesulfonyl chloride is sourced from PubChem (CID 16774314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).