N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide

C20H20N2O4S — CID 11696675

IUPACN-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(N)c2)cc1
InChIInChI=1S/C20H20N2O4S/c1-14-3-10-18(11-4-14)27(23,24)22-20-12-9-17(13-19(20)21)26-16-7-5-15(25-2)6-8-16/h3-13,22H,21H2,1-2H3
InChIKeyRVMYQEPCDFGKBR-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.18
Rot. Bonds6

About N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide

N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 11696675) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID11696675
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(N)c2)cc1
InChIInChI=1S/C20H20N2O4S/c1-14-3-10-18(11-4-14)27(23,24)22-20-12-9-17(13-19(20)21)26-16-7-5-15(25-2)6-8-16/h3-13,22H,21H2,1-2H3
InChIKeyRVMYQEPCDFGKBR-UHFFFAOYSA-N
XLogP4.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
CID 51063876
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373451
4-(4-methylphenoxy)benzenesulfonohydrazide
CID 90979703
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide (CID 11696675) is N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide is COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(N)c2)cc1.
What is the InChIKey of N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is RVMYQEPCDFGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-3-10-18(11-4-14)27(23,24)22-20-12-9-17(13-19(20)21)26-16-7-5-15(25-2)6-8-16/h3-13,22H,21H2,1-2H3.
What are the key properties of N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11696675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).