6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide

C14H17N3O3S — CID 9405815

IUPAC6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide
SMILESCOc1ccc(CCNc2ccc(S(N)(=O)=O)cn2)cc1
InChIInChI=1S/C14H17N3O3S/c1-20-12-4-2-11(3-5-12)8-9-16-14-7-6-13(10-17-14)21(15,18)19/h2-7,10H,8-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeySBMUTMPIODFRQL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.39
Rot. Bonds6

About 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide

6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide (PubChem CID 9405815) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide
PubChem CID9405815
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide
SMILESCOc1ccc(CCNc2ccc(S(N)(=O)=O)cn2)cc1
InChIInChI=1S/C14H17N3O3S/c1-20-12-4-2-11(3-5-12)8-9-16-14-7-6-13(10-17-14)21(15,18)19/h2-7,10H,8-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeySBMUTMPIODFRQL-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide (CID 9405815) is 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide is COc1ccc(CCNc2ccc(S(N)(=O)=O)cn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is SBMUTMPIODFRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-4-2-11(3-5-12)8-9-16-14-7-6-13(10-17-14)21(15,18)19/h2-7,10H,8-9H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide?
6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 9405815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).