N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide

C11H13N3O2S2 — CID 7152310

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cccnc2)cs1
InChIInChI=1S/C11H13N3O2S2/c1-9-14-10(8-17-9)4-6-13-18(15,16)11-3-2-5-12-7-11/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyCAUWKASGAQZFRR-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 7152310) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
PubChem CID7152310
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cccnc2)cs1
InChIInChI=1S/C11H13N3O2S2/c1-9-14-10(8-17-9)4-6-13-18(15,16)11-3-2-5-12-7-11/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyCAUWKASGAQZFRR-UHFFFAOYSA-N
XLogP1.37
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide (CID 7152310) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide is Cc1nc(CCNS(=O)(=O)c2cccnc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is CAUWKASGAQZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-9-14-10(8-17-9)4-6-13-18(15,16)11-3-2-5-12-7-11/h2-3,5,7-8,13H,4,6H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7152310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).