5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H17N3O3S — CID 28717822

IUPAC5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C14H17N3O3S/c1-20-13-6-5-11(9-15)8-14(13)21(18,19)17-10-12-4-2-3-7-16-12/h2-8,17H,9-10,15H2,1H3
InChIKeyDNTPHAJXQINPCL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.03
Rot. Bonds6

About 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 28717822) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID28717822
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C14H17N3O3S/c1-20-13-6-5-11(9-15)8-14(13)21(18,19)17-10-12-4-2-3-7-16-12/h2-8,17H,9-10,15H2,1H3
InChIKeyDNTPHAJXQINPCL-UHFFFAOYSA-N
XLogP1.03
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20923094
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 154840794
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 28717822) is 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is DNTPHAJXQINPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-13-6-5-11(9-15)8-14(13)21(18,19)17-10-12-4-2-3-7-16-12/h2-8,17H,9-10,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 28717822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).