4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide

C14H17N3O3S — CID 107856245

IUPAC4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cnccc2N)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-4-2-3-11(9-12)5-8-17-21(18,19)14-10-16-7-6-13(14)15/h2-4,6-7,9-10,17H,5,8H2,1H3,(H2,15,16)
InChIKeyRHXQWRBFXUTVFT-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.19
Rot. Bonds6

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

4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 107856245) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID107856245
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cnccc2N)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-4-2-3-11(9-12)5-8-17-21(18,19)14-10-16-7-6-13(14)15/h2-4,6-7,9-10,17H,5,8H2,1H3,(H2,15,16)
InChIKeyRHXQWRBFXUTVFT-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 107843596
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110295030
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283394
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-phenylpyrazole-4-sulfonamide
CID 42344985
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide (CID 107856245) is 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide is COc1cccc(CCNS(=O)(=O)c2cnccc2N)c1.
What is the InChIKey of 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is RHXQWRBFXUTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-4-2-3-11(9-12)5-8-17-21(18,19)14-10-16-7-6-13(14)15/h2-4,6-7,9-10,17H,5,8H2,1H3,(H2,15,16).
What are the key properties of 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107856245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).