2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide

C9H13ClN2O3S2 — CID 55082064

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O3S2/c10-8-11-5-7(16-8)17(14,15)12-9(6-13)3-1-2-4-9/h5,12-13H,1-4,6H2
InChIKeyZHVUQVWQKKBOBN-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.38
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide (PubChem CID 55082064) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide
PubChem CID55082064
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O3S2/c10-8-11-5-7(16-8)17(14,15)12-9(6-13)3-1-2-4-9/h5,12-13H,1-4,6H2
InChIKeyZHVUQVWQKKBOBN-UHFFFAOYSA-N
XLogP1.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide (CID 55082064) is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NC1(CO)CCCC1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZHVUQVWQKKBOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c10-8-11-5-7(16-8)17(14,15)12-9(6-13)3-1-2-4-9/h5,12-13H,1-4,6H2.
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55082064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).