4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide

C15H19ClN2O2S3 — CID 5206584

IUPAC4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1SC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S3/c16-11-5-7-12(8-6-11)23(19,20)18-13-3-1-2-4-14(13)22-15-17-9-10-21-15/h5-8,13-14,18H,1-4,9-10H2
InChIKeyYZRNHAQRJVDEAQ-UHFFFAOYSA-N
MW390.98 g/mol
LogP3.77
Rot. Bonds4

About 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide (PubChem CID 5206584) has the molecular formula C15H19ClN2O2S3 and a molecular weight of 390.98 g/mol. Its IUPAC name is 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide
PubChem CID5206584
Molecular FormulaC15H19ClN2O2S3
Molecular Weight390.98 g/mol
Exact Mass390.03
IUPAC Name4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1SC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S3/c16-11-5-7-12(8-6-11)23(19,20)18-13-3-1-2-4-14(13)22-15-17-9-10-21-15/h5-8,13-14,18H,1-4,9-10H2
InChIKeyYZRNHAQRJVDEAQ-UHFFFAOYSA-N
XLogP3.77
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide 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 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide (CID 5206584) is 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1SC1=NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide?
The InChIKey is YZRNHAQRJVDEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S3/c16-11-5-7-12(8-6-11)23(19,20)18-13-3-1-2-4-14(13)22-15-17-9-10-21-15/h5-8,13-14,18H,1-4,9-10H2.
What are the key properties of 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide has a molecular weight of 390.98 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 5206584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).