3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide

C12H13N3O3S — CID 29275645

IUPAC3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1N
InChIInChI=1S/C12H13N3O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h2-8,15H,13H2,1H3
InChIKeyGMOZRLPEAAKBMT-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.47
Rot. Bonds4

About 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide

3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 29275645) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID29275645
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1N
InChIInChI=1S/C12H13N3O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h2-8,15H,13H2,1H3
InChIKeyGMOZRLPEAAKBMT-UHFFFAOYSA-N
XLogP1.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.47
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

3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
2,6-dimethoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 28578712
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide (CID 29275645) is 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is GMOZRLPEAAKBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h2-8,15H,13H2,1H3.
What are the key properties of 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 29275645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).