2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide

C11H17ClN2O2S2 — CID 54955591

IUPAC2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2O2S2/c1-2-8-3-5-9(6-4-8)14-18(15,16)10-7-13-11(12)17-10/h7-9,14H,2-6H2,1H3
InChIKeyOLIYEIKFBHNLRI-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide (PubChem CID 54955591) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide
PubChem CID54955591
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2O2S2/c1-2-8-3-5-9(6-4-8)14-18(15,16)10-7-13-11(12)17-10/h7-9,14H,2-6H2,1H3
InChIKeyOLIYEIKFBHNLRI-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide (CID 54955591) is 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide is CCC1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is OLIYEIKFBHNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-2-8-3-5-9(6-4-8)14-18(15,16)10-7-13-11(12)17-10/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54955591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).