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

C16H20F3N3O2S2 — CID 46396414

IUPACN-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H20F3N3O2S2/c1-10-14(26(23,24)22(2)11-6-4-3-5-7-11)9-13(25-10)12-8-15(21-20-12)16(17,18)19/h8-9,11H,3-7H2,1-2H3,(H,20,21)
InChIKeyIKLJUQQZWYYASX-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.42
Rot. Bonds4

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

N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 46396414) has the molecular formula C16H20F3N3O2S2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID46396414
Molecular FormulaC16H20F3N3O2S2
Molecular Weight407.48 g/mol
Exact Mass407.09
IUPAC NameN-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H20F3N3O2S2/c1-10-14(26(23,24)22(2)11-6-4-3-5-7-11)9-13(25-10)12-8-15(21-20-12)16(17,18)19/h8-9,11H,3-7H2,1-2H3,(H,20,21)
InChIKeyIKLJUQQZWYYASX-UHFFFAOYSA-N
XLogP4.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl chloride
CID 53212052
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 46396421
2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396444
N-(2,4-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396381
N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 53138840
N-cyclohexyl-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821802
N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396391
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135
N-cyclopentyl-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912365
N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide
CID 46392984
2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
CID 90164879
3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 50840250

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 46396414) is N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is IKLJUQQZWYYASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2S2/c1-10-14(26(23,24)22(2)11-6-4-3-5-7-11)9-13(25-10)12-8-15(21-20-12)16(17,18)19/h8-9,11H,3-7H2,1-2H3,(H,20,21).
What are the key properties of N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 407.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 46396414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).