N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide

C21H18N2O3S — CID 122184586

IUPACN-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-23(27(24,25)19-13-11-18(26-2)12-14-19)21-6-4-3-5-20(21)17-9-7-16(15-22)8-10-17/h3-14H,1-2H3
InChIKeyZUNRKKQYEDSIHH-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide

N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 122184586) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID122184586
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-23(27(24,25)19-13-11-18(26-2)12-14-19)21-6-4-3-5-20(21)17-9-7-16(15-22)8-10-17/h3-14H,1-2H3
InChIKeyZUNRKKQYEDSIHH-UHFFFAOYSA-N
XLogP4.06
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide (CID 122184586) is N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is ZUNRKKQYEDSIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-23(27(24,25)19-13-11-18(26-2)12-14-19)21-6-4-3-5-20(21)17-9-7-16(15-22)8-10-17/h3-14H,1-2H3.
What are the key properties of N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 122184586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).