3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H23N3O3S — CID 28517555

IUPAC3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-16-8-6-11(7-9-16)17(2)21(18,19)12-4-5-14(20-3)13(15)10-12/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyWIXILGMTAFFWNC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 28517555) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID28517555
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-16-8-6-11(7-9-16)17(2)21(18,19)12-4-5-14(20-3)13(15)10-12/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyWIXILGMTAFFWNC-UHFFFAOYSA-N
XLogP0.99
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 28517555) is 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is WIXILGMTAFFWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16-8-6-11(7-9-16)17(2)21(18,19)12-4-5-14(20-3)13(15)10-12/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 28517555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).