2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide

C9H13ClN2O3S2 — CID 55014009

IUPAC2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCCO1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O3S2/c10-9-11-6-8(16-9)17(13,14)12-5-7-3-1-2-4-15-7/h6-7,12H,1-5H2
InChIKeyAIDARFBZIBBCGF-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.64
Rot. Bonds4

About 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55014009) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID55014009
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCCO1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O3S2/c10-9-11-6-8(16-9)17(13,14)12-5-7-3-1-2-4-15-7/h6-7,12H,1-5H2
InChIKeyAIDARFBZIBBCGF-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 55014009) is 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC1CCCCO1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is AIDARFBZIBBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c10-9-11-6-8(16-9)17(13,14)12-5-7-3-1-2-4-15-7/h6-7,12H,1-5H2.
What are the key properties of 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55014009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).