N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C14H15F3N2O3S2 — CID 20935901

IUPACN-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C14H15F3N2O3S2/c15-14(16,17)12-8-10(18-22-12)11-6-7-13(23-11)24(20,21)19-9-4-2-1-3-5-9/h6-9,19H,1-5H2
InChIKeyIROUASKOEMQOSX-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.03
Rot. Bonds4

About N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935901) has the molecular formula C14H15F3N2O3S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935901
Molecular FormulaC14H15F3N2O3S2
Molecular Weight380.41 g/mol
Exact Mass380.05
IUPAC NameN-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C14H15F3N2O3S2/c15-14(16,17)12-8-10(18-22-12)11-6-7-13(23-11)24(20,21)19-9-4-2-1-3-5-9/h6-9,19H,1-5H2
InChIKeyIROUASKOEMQOSX-UHFFFAOYSA-N
XLogP4.03
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025226
3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
1-Phenyl-4-({5-[3-(trifluoromethyl)isoxazol-5-yl]thien-2-yl}sulfonyl)piperazine
CID 2823120
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
1-(4-Fluorophenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine
CID 16025246
N-[(3-bromophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025258
5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 16024975
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025221
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
CID 2742811
1-Methyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 2742815

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935901) is N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is IROUASKOEMQOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S2/c15-14(16,17)12-8-10(18-22-12)11-6-7-13(23-11)24(20,21)19-9-4-2-1-3-5-9/h6-9,19H,1-5H2.
What are the key properties of N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 380.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).