6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

C14H17N3O3S — CID 62158613

IUPAC6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C14H17N3O3S/c1-17(10-11-3-5-12(20-2)6-4-11)21(18,19)13-7-8-14(15)16-9-13/h3-9H,10H2,1-2H3,(H2,15,16)
InChIKeyHJBPWLJWXYNKBE-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.49
Rot. Bonds5

About 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 62158613) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID62158613
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C14H17N3O3S/c1-17(10-11-3-5-12(20-2)6-4-11)21(18,19)13-7-8-14(15)16-9-13/h3-9H,10H2,1-2H3,(H2,15,16)
InChIKeyHJBPWLJWXYNKBE-UHFFFAOYSA-N
XLogP1.49
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391306
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62152603
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61415653

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 62158613) is 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc(N)nc2)cc1.
What is the InChIKey of 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is HJBPWLJWXYNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17(10-11-3-5-12(20-2)6-4-11)21(18,19)13-7-8-14(15)16-9-13/h3-9H,10H2,1-2H3,(H2,15,16).
What are the key properties of 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62158613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).