N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

C15H18F3N3O2S2 — CID 46396392

IUPACN-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H18F3N3O2S2/c1-9-13(25(22,23)21-10-5-3-2-4-6-10)8-12(24-9)11-7-14(20-19-11)15(16,17)18/h7-8,10,21H,2-6H2,1H3,(H,19,20)
InChIKeyGCMHACMWASCPGQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.08
Rot. Bonds4

About N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 46396392) has the molecular formula C15H18F3N3O2S2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID46396392
Molecular FormulaC15H18F3N3O2S2
Molecular Weight393.46 g/mol
Exact Mass393.08
IUPAC NameN-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H18F3N3O2S2/c1-9-13(25(22,23)21-10-5-3-2-4-6-10)8-12(24-9)11-7-14(20-19-11)15(16,17)18/h7-8,10,21H,2-6H2,1H3,(H,19,20)
InChIKeyGCMHACMWASCPGQ-UHFFFAOYSA-N
XLogP4.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396399
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
N-(4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947432
2-Methyl-5-(3-methyl-1H-pyrazol-5-YL)-N-(1,2,3,4-tetrahydronaphthalen-1-YL)thiophene-3-sulfonamide
CID 53138862
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947418
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 20947501
3,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 43242570
N-(2,4-difluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947422
N-(2-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947431
N-[(4-fluorophenyl)methyl]-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947468
5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 20947475

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 46396392) is N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is GCMHACMWASCPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S2/c1-9-13(25(22,23)21-10-5-3-2-4-6-10)8-12(24-9)11-7-14(20-19-11)15(16,17)18/h7-8,10,21H,2-6H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 393.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 46396392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).