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

C9H15ClN2O3S2 — CID 62519962

IUPAC2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-3-9(4-2,6-13)12-17(14,15)7-5-11-8(10)16-7/h5,12-13H,3-4,6H2,1-2H3
InChIKeyHMBBXDHGUGTIQC-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.63
Rot. Bonds6

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

2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 62519962) has the molecular formula C9H15ClN2O3S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide
PubChem CID62519962
Molecular FormulaC9H15ClN2O3S2
Molecular Weight298.82 g/mol
Exact Mass298.02
IUPAC Name2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-3-9(4-2,6-13)12-17(14,15)7-5-11-8(10)16-7/h5,12-13H,3-4,6H2,1-2H3
InChIKeyHMBBXDHGUGTIQC-UHFFFAOYSA-N
XLogP1.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide (CID 62519962) is 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide is CCC(CC)(CO)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is HMBBXDHGUGTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S2/c1-3-9(4-2,6-13)12-17(14,15)7-5-11-8(10)16-7/h5,12-13H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 298.82 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62519962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).