3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

C19H18F3N3O2S — CID 42284900

IUPAC3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18F3N3O2S/c1-13(2)25-12-17(18(23-25)14-7-4-3-5-8-14)28(26,27)24-16-10-6-9-15(11-16)19(20,21)22/h3-13,24H,1-2H3
InChIKeyPKBPZXOSPCMFMC-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.95
Rot. Bonds5

About 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 42284900) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID42284900
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC Name3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18F3N3O2S/c1-13(2)25-12-17(18(23-25)14-7-4-3-5-8-14)28(26,27)24-16-10-6-9-15(11-16)19(20,21)22/h3-13,24H,1-2H3
InChIKeyPKBPZXOSPCMFMC-UHFFFAOYSA-N
XLogP4.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42283326
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346407
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
N-(2-ethoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284907
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283972
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (CID 42284900) is 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is PKBPZXOSPCMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-13(2)25-12-17(18(23-25)14-7-4-3-5-8-14)28(26,27)24-16-10-6-9-15(11-16)19(20,21)22/h3-13,24H,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 409.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42284900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).