5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride

C14H10ClNO3S — CID 54293820

IUPAC5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(-c2ccc(C#N)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H10ClNO3S/c1-19-13-7-6-12(8-14(13)20(15,17)18)11-4-2-10(9-16)3-5-11/h2-8H,1H3
InChIKeyRZJQHQVFQKWLRC-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.16
Rot. Bonds3

About 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride

5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 54293820) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
PubChem CID54293820
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(-c2ccc(C#N)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H10ClNO3S/c1-19-13-7-6-12(8-14(13)20(15,17)18)11-4-2-10(9-16)3-5-11/h2-8H,1H3
InChIKeyRZJQHQVFQKWLRC-UHFFFAOYSA-N
XLogP3.16
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
(4-cyanophenyl) 2,5-dimethoxybenzenesulfonate
CID 2804187
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
4-cyano-5-iodo-2-methoxybenzenesulfonyl chloride
CID 118828012
4-bromo-5-cyano-2-methoxybenzenesulfonyl chloride
CID 118845593
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 82911140
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
4-cyano-2-ethoxybenzenesulfonyl chloride
CID 151954691
5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 59548939

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride (CID 54293820) is 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride is COc1ccc(-c2ccc(C#N)cc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is RZJQHQVFQKWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c1-19-13-7-6-12(8-14(13)20(15,17)18)11-4-2-10(9-16)3-5-11/h2-8H,1H3.
What are the key properties of 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride?
5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 307.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 54293820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).