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

C11H17ClN2O2S2 — CID 54932519

IUPAC2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)c1cnc(Cl)s1
InChIInChI=1S/C11H17ClN2O2S2/c12-11-13-8-10(17-11)18(15,16)14-7-6-9-4-2-1-3-5-9/h8-9,14H,1-7H2
InChIKeyAXQZXDDIPHDUBF-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.05
Rot. Bonds5

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

2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 54932519) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
PubChem CID54932519
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)c1cnc(Cl)s1
InChIInChI=1S/C11H17ClN2O2S2/c12-11-13-8-10(17-11)18(15,16)14-7-6-9-4-2-1-3-5-9/h8-9,14H,1-7H2
InChIKeyAXQZXDDIPHDUBF-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide (CID 54932519) is 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCCC1CCCCC1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is AXQZXDDIPHDUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c12-11-13-8-10(17-11)18(15,16)14-7-6-9-4-2-1-3-5-9/h8-9,14H,1-7H2.
What are the key properties of 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54932519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).