4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide

C21H15N3O4S — CID 2805885

IUPAC4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3c(C#N)cccc3C#N)cc2)cc1
InChIInChI=1S/C21H15N3O4S/c1-27-18-7-5-17(6-8-18)24-29(25,26)20-11-9-19(10-12-20)28-21-15(13-22)3-2-4-16(21)14-23/h2-12,24H,1H3
InChIKeyMRXPVZNUMFKYQT-UHFFFAOYSA-N
MW405.44 g/mol
LogP4.03
Rot. Bonds6

About 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide

4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2805885) has the molecular formula C21H15N3O4S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2805885
Molecular FormulaC21H15N3O4S
Molecular Weight405.44 g/mol
Exact Mass405.08
IUPAC Name4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3c(C#N)cccc3C#N)cc2)cc1
InChIInChI=1S/C21H15N3O4S/c1-27-18-7-5-17(6-8-18)24-29(25,26)20-11-9-19(10-12-20)28-21-15(13-22)3-2-4-16(21)14-23/h2-12,24H,1H3
InChIKeyMRXPVZNUMFKYQT-UHFFFAOYSA-N
XLogP4.03
TPSA112.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzenesulfonamide, 4-(2,6-dicyanophenoxy)-N-phenyl-
CID 2805895
N1-phenyl-4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonamide
CID 2804738
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 799154
N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 882562
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
N-{4-[(4-fluoroanilino)sulfonyl]phenyl}-4-methoxy-3-methylbenzenesulfonamide
CID 983012
4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
CID 3272891
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[2-(4-cyanophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184507
N-[2-(3-cyanophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184514
N-(4-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 2234375

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide (CID 2805885) is 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Oc3c(C#N)cccc3C#N)cc2)cc1.
What is the InChIKey of 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is MRXPVZNUMFKYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4S/c1-27-18-7-5-17(6-8-18)24-29(25,26)20-11-9-19(10-12-20)28-21-15(13-22)3-2-4-16(21)14-23/h2-12,24H,1H3.
What are the key properties of 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide?
4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 405.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2805885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).