N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide

C14H17N3O3S — CID 103305004

IUPACN-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H17N3O3S/c1-15-13-3-2-9-16-14(13)21(19,20)17-10-8-11-4-6-12(18)7-5-11/h2-7,9,15,17-18H,8,10H2,1H3
InChIKeyKGXLCPLFJTZDGX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.35
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide

N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305004) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305004
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H17N3O3S/c1-15-13-3-2-9-16-14(13)21(19,20)17-10-8-11-4-6-12(18)7-5-11/h2-7,9,15,17-18H,8,10H2,1H3
InChIKeyKGXLCPLFJTZDGX-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106407931
3-(methylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 106408023
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301054
2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate
CID 103306938
3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide
CID 103305937
2-[2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106241007
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(2,2-dicyclopropylethyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306367
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
N-butyl-3-hydrazinylpyridine-2-sulfonamide
CID 103300794

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide (CID 103305004) is N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is KGXLCPLFJTZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-13-3-2-9-16-14(13)21(19,20)17-10-8-11-4-6-12(18)7-5-11/h2-7,9,15,17-18H,8,10H2,1H3.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).