2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide

C12H13N3O3S — CID 55043864

IUPAC2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C12H13N3O3S/c1-18-10-4-2-3-9(7-10)15-19(16,17)11-5-6-14-12(13)8-11/h2-8,15H,1H3,(H2,13,14)
InChIKeyDZQKVCJPQLMPFE-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide

2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide (PubChem CID 55043864) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
PubChem CID55043864
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C12H13N3O3S/c1-18-10-4-2-3-9(7-10)15-19(16,17)11-5-6-14-12(13)8-11/h2-8,15H,1H3,(H2,13,14)
InChIKeyDZQKVCJPQLMPFE-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

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Related Compounds

3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
8-hydroxy-N-(3-methoxyphenyl)quinoline-4-sulfonamide
CID 11158687
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 171134272

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide (CID 55043864) is 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide is COc1cccc(NS(=O)(=O)c2ccnc(N)c2)c1.
What is the InChIKey of 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide?
The InChIKey is DZQKVCJPQLMPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-10-4-2-3-9(7-10)15-19(16,17)11-5-6-14-12(13)8-11/h2-8,15H,1H3,(H2,13,14).
What are the key properties of 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide?
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide 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 2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 55043864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).