N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide

C15H12F3N3O2S2 — CID 4776109

IUPACN-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccs1
InChIInChI=1S/C15H12F3N3O2S2/c16-15(17,18)12-4-1-3-11(7-12)9-21-10-13(8-19-21)20-25(22,23)14-5-2-6-24-14/h1-8,10,20H,9H2
InChIKeySMHBVRUDJOMPEK-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.81
Rot. Bonds5

About N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide

N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 4776109) has the molecular formula C15H12F3N3O2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID4776109
Molecular FormulaC15H12F3N3O2S2
Molecular Weight387.41 g/mol
Exact Mass387.03
IUPAC NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccs1
InChIInChI=1S/C15H12F3N3O2S2/c16-15(17,18)12-4-1-3-11(7-12)9-21-10-13(8-19-21)20-25(22,23)14-5-2-6-24-14/h1-8,10,20H,9H2
InChIKeySMHBVRUDJOMPEK-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771789
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 17022730
1-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344336
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
2-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 56725314
2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19346927
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide (CID 4776109) is N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccs1.
What is the InChIKey of N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is SMHBVRUDJOMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S2/c16-15(17,18)12-4-1-3-11(7-12)9-21-10-13(8-19-21)20-25(22,23)14-5-2-6-24-14/h1-8,10,20H,9H2.
What are the key properties of N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 387.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 4776109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).