N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide

C14H17N3O3S — CID 62146746

IUPACN-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cn1
InChIInChI=1S/C14H17N3O3S/c1-15-14-7-6-13(10-16-14)21(19,20)17-12-4-2-11(3-5-12)8-9-18/h2-7,10,17-18H,8-9H2,1H3,(H,15,16)
InChIKeyJTVGWHOTVRNWPV-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.46
Rot. Bonds6

About N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide

N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62146746) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62146746
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cn1
InChIInChI=1S/C14H17N3O3S/c1-15-14-7-6-13(10-16-14)21(19,20)17-12-4-2-11(3-5-12)8-9-18/h2-7,10,17-18H,8-9H2,1H3,(H,15,16)
InChIKeyJTVGWHOTVRNWPV-UHFFFAOYSA-N
XLogP1.46
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847443
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 115329060
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
CID 62301362
N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62144164
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide (CID 62146746) is N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cn1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is JTVGWHOTVRNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-14-7-6-13(10-16-14)21(19,20)17-12-4-2-11(3-5-12)8-9-18/h2-7,10,17-18H,8-9H2,1H3,(H,15,16).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide?
N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62146746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).