N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

C22H20N2O4S — CID 122184590

IUPACN-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)c2ccccc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-28-19-10-12-20(13-11-19)29(26,27)24(14-15-25)22-5-3-2-4-21(22)18-8-6-17(16-23)7-9-18/h2-13,25H,14-15H2,1H3
InChIKeyTVSNUCOZTHRJHS-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide (PubChem CID 122184590) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
PubChem CID122184590
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)c2ccccc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-28-19-10-12-20(13-11-19)29(26,27)24(14-15-25)22-5-3-2-4-21(22)18-8-6-17(16-23)7-9-18/h2-13,25H,14-15H2,1H3
InChIKeyTVSNUCOZTHRJHS-UHFFFAOYSA-N
XLogP3.42
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
KN-93
CID 5312122
N-[(2R,3S)-3-(3-fluoro-2-methylanilino)-2-hydroxy-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 44582025
(R)-N-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71263372
N-(2-cyanophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 118526998
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71623228
N-[[4-(diethylamino)phenyl]methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 71624180
N-[2-(4-cyanophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184507
N-[2-(3-cyanophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184514
N-[2-(4-cyanophenyl)phenyl]-4-methoxy-N-methylbenzenesulfonamide
CID 122184586
N-[2-(4-cyanophenyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
CID 122184587

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide (CID 122184590) is N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCO)c2ccccc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
The InChIKey is TVSNUCOZTHRJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-28-19-10-12-20(13-11-19)29(26,27)24(14-15-25)22-5-3-2-4-21(22)18-8-6-17(16-23)7-9-18/h2-13,25H,14-15H2,1H3.
What are the key properties of N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?
N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122184590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).