4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H17N3O3S — CID 106030823

IUPAC4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H17N3O3S/c1-20-13-7-11(8-15)4-5-14(13)21(18,19)17-10-12-3-2-6-16-9-12/h2-7,9,17H,8,10,15H2,1H3
InChIKeyZJMWXVNUWIFOCK-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.03
Rot. Bonds6

About 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 106030823) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID106030823
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H17N3O3S/c1-20-13-7-11(8-15)4-5-14(13)21(18,19)17-10-12-3-2-6-16-9-12/h2-7,9,17H,8,10,15H2,1H3
InChIKeyZJMWXVNUWIFOCK-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

2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 102704632
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 106030823) is 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZJMWXVNUWIFOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-13-7-11(8-15)4-5-14(13)21(18,19)17-10-12-3-2-6-16-9-12/h2-7,9,17H,8,10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(pyridin-3-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 4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106030823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).