3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C14H16N2O3S — CID 61028648

IUPAC3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cccc(N)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-19-13-6-2-4-11(8-13)10-16-20(17,18)14-7-3-5-12(15)9-14/h2-9,16H,10,15H2,1H3
InChIKeyXMHSRXNQKCGBAC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 61028648) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID61028648
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cccc(N)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-19-13-6-2-4-11(8-13)10-16-20(17,18)14-7-3-5-12(15)9-14/h2-9,16H,10,15H2,1H3
InChIKeyXMHSRXNQKCGBAC-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.76
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-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
N-[(3-methoxyphenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481454
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55915793
3-[(3-methoxyphenyl)sulfonylmethyl]aniline
CID 43444318
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
N-[(3-aminophenyl)methyl]-3-nitrobenzenesulfonamide
CID 43593516
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 61028648) is 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CNS(=O)(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is XMHSRXNQKCGBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-13-6-2-4-11(8-13)10-16-20(17,18)14-7-3-5-12(15)9-14/h2-9,16H,10,15H2,1H3.
What are the key properties of 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).