5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide

C17H21N3O3S — CID 122191032

IUPAC5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(N)nc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H21N3O3S/c1-23-15-8-6-12(13-7-9-17(18)19-11-13)10-16(15)24(21,22)20-14-4-2-3-5-14/h6-11,14,20H,2-5H2,1H3,(H2,18,19)
InChIKeyJRNRFHNFIMAYCS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.56
Rot. Bonds5

About 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide

5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide (PubChem CID 122191032) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide
PubChem CID122191032
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(N)nc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H21N3O3S/c1-23-15-8-6-12(13-7-9-17(18)19-11-13)10-16(15)24(21,22)20-14-4-2-3-5-14/h6-11,14,20H,2-5H2,1H3,(H2,18,19)
InChIKeyJRNRFHNFIMAYCS-UHFFFAOYSA-N
XLogP2.56
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide (CID 122191032) is 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide is COc1ccc(-c2ccc(N)nc2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide?
The InChIKey is JRNRFHNFIMAYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-23-15-8-6-12(13-7-9-17(18)19-11-13)10-16(15)24(21,22)20-14-4-2-3-5-14/h6-11,14,20H,2-5H2,1H3,(H2,18,19).
What are the key properties of 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide?
5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-N-cyclopentyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 122191032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).