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

C17H21BrN2O2S2 — CID 155115482

IUPAC5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C17H21BrN2O2S2/c1-2-20-24(21,22)16-10-13(18)8-9-14(16)15-11-19-17(23-15)12-6-4-3-5-7-12/h8-12,20H,2-7H2,1H3
InChIKeyOJISMGODNIYRRP-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.92
Rot. Bonds5

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

5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide (PubChem CID 155115482) has the molecular formula C17H21BrN2O2S2 and a molecular weight of 429.41 g/mol. Its IUPAC name is 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
PubChem CID155115482
Molecular FormulaC17H21BrN2O2S2
Molecular Weight429.41 g/mol
Exact Mass428.02
IUPAC Name5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C17H21BrN2O2S2/c1-2-20-24(21,22)16-10-13(18)8-9-14(16)15-11-19-17(23-15)12-6-4-3-5-7-12/h8-12,20H,2-7H2,1H3
InChIKeyOJISMGODNIYRRP-UHFFFAOYSA-N
XLogP4.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-[(2-oxo-1H-pyrimidin-6-yl)amino]benzenesulfonamide
CID 155693552
2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide
CID 155100679
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide
CID 155693695
propan-2-yl N-[4-[5-[4-carbamoyl-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100692
5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 158006819
2-[3-(ethylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]acetic acid
CID 155100768
[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 168724964
N-ethyl-5-(1H-imidazol-2-ylmethyl)-2-[2-[4-[[methoxy(propan-2-yloxy)methyl]amino]cyclohexyl]-1,3-thiazol-5-yl]benzenesulfonamide
CID 155693736
N-ethyl-2-[2-[4-[[hydroxy(propan-2-yloxy)methyl]amino]cyclohexyl]-1,3-thiazol-5-yl]-5-(3-propan-2-yloxyazetidin-1-yl)benzenesulfonamide
CID 155118739
propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100702
propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide (CID 155115482) is 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide?
The InChIKey is OJISMGODNIYRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2S2/c1-2-20-24(21,22)16-10-13(18)8-9-14(16)15-11-19-17(23-15)12-6-4-3-5-7-12/h8-12,20H,2-7H2,1H3.
What are the key properties of 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide?
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide has a molecular weight of 429.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 155115482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).