N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide

C15H18N2O3S — CID 43593541

IUPACN-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccc(N)c2)cc1C
InChIInChI=1S/C15H18N2O3S/c1-11-8-14(6-7-15(11)20-2)21(18,19)17-10-12-4-3-5-13(16)9-12/h3-9,17H,10,16H2,1-2H3
InChIKeyZQACXKYOGOVTCL-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.06
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide

N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 43593541) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID43593541
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccc(N)c2)cc1C
InChIInChI=1S/C15H18N2O3S/c1-11-8-14(6-7-15(11)20-2)21(18,19)17-10-12-4-3-5-13(16)9-12/h3-9,17H,10,16H2,1-2H3
InChIKeyZQACXKYOGOVTCL-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
3-amino-N-[(3-bromophenyl)methyl]-4-methoxybenzenesulfonamide
CID 61400840
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 44819893
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
N-[(3-aminophenyl)methyl]-3-nitrobenzenesulfonamide
CID 43593516

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide (CID 43593541) is N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccc(N)c2)cc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is ZQACXKYOGOVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-8-14(6-7-15(11)20-2)21(18,19)17-10-12-4-3-5-13(16)9-12/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 43593541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).