N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide

C9H13BrN2O2S2 — CID 61066356

IUPACN-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C9H13BrN2O2S2/c10-8-6-11-9(15-8)12-16(13,14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyZDCJJLYHCGWWPJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.98
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide (PubChem CID 61066356) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide
PubChem CID61066356
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C9H13BrN2O2S2/c10-8-6-11-9(15-8)12-16(13,14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyZDCJJLYHCGWWPJ-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide 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 N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide (CID 61066356) is N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide is O=S(=O)(Nc1ncc(Br)s1)C1CCCCC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide?
The InChIKey is ZDCJJLYHCGWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c10-8-6-11-9(15-8)12-16(13,14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide has a molecular weight of 325.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide is sourced from PubChem (CID 61066356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).