N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide

C17H21FN2O2S2 — CID 7530805

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)C1CCCCC1
InChIInChI=1S/C17H21FN2O2S2/c18-14-6-4-5-13(11-14)17-20-15(12-23-17)9-10-19-24(21,22)16-7-2-1-3-8-16/h4-6,11-12,16,19H,1-3,7-10H2
InChIKeyOFRHSJUDWHIJDE-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide (PubChem CID 7530805) has the molecular formula C17H21FN2O2S2 and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide
PubChem CID7530805
Molecular FormulaC17H21FN2O2S2
Molecular Weight368.50 g/mol
Exact Mass368.10
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)C1CCCCC1
InChIInChI=1S/C17H21FN2O2S2/c18-14-6-4-5-13(11-14)17-20-15(12-23-17)9-10-19-24(21,22)16-7-2-1-3-8-16/h4-6,11-12,16,19H,1-3,7-10H2
InChIKeyOFRHSJUDWHIJDE-UHFFFAOYSA-N
XLogP3.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxyethanesulfonamide
CID 7530807
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
1-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 7518657
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
CID 7216624
2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7216597
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 51874973
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide (CID 7530805) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide is O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)C1CCCCC1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide?
The InChIKey is OFRHSJUDWHIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S2/c18-14-6-4-5-13(11-14)17-20-15(12-23-17)9-10-19-24(21,22)16-7-2-1-3-8-16/h4-6,11-12,16,19H,1-3,7-10H2.
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 7530805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).