3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide

C14H16N2O3S — CID 28542327

IUPAC3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1N
InChIInChI=1S/C14H16N2O3S/c1-16(11-6-4-3-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h3-10H,15H2,1-2H3
InChIKeyNZAFGBLTOIVUGW-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.10
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide

3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 28542327) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
PubChem CID28542327
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1N
InChIInChI=1S/C14H16N2O3S/c1-16(11-6-4-3-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h3-10H,15H2,1-2H3
InChIKeyNZAFGBLTOIVUGW-UHFFFAOYSA-N
XLogP2.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
4-(2-methoxyphenyl)-N-methyl-N-phenylbenzenesulfonamide
CID 73351058
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 81440430
methyl 2-[(3-amino-4-methoxyphenyl)sulfonyl-methylamino]acetate
CID 29277374
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
4-methoxy-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752603
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide (CID 28542327) is 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is NZAFGBLTOIVUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(11-6-4-3-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h3-10H,15H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide?
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 28542327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).