N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide

C22H24N2O3S — CID 112983681

IUPACN-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(CCNc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-17-5-3-4-6-22(17)28(25,26)24-20-11-9-19(10-12-20)23-16-15-18-7-13-21(27-2)14-8-18/h3-14,23-24H,15-16H2,1-2H3
InChIKeyVKGHGBDSKXDFMQ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide

N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide (PubChem CID 112983681) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
PubChem CID112983681
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(CCNc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-17-5-3-4-6-22(17)28(25,26)24-20-11-9-19(10-12-20)23-16-15-18-7-13-21(27-2)14-8-18/h3-14,23-24H,15-16H2,1-2H3
InChIKeyVKGHGBDSKXDFMQ-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide
CID 112987972
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 16782068
2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
CID 7286055
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide
CID 55532187
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide (CID 112983681) is N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide is COc1ccc(CCNc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is VKGHGBDSKXDFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-17-5-3-4-6-22(17)28(25,26)24-20-11-9-19(10-12-20)23-16-15-18-7-13-21(27-2)14-8-18/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide?
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 112983681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).