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

C20H24N4O4S2 — CID 42346810

IUPAC3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H24N4O4S2/c1-15(2)24-14-19(20(23-24)17-6-4-3-5-7-17)30(27,28)22-13-12-16-8-10-18(11-9-16)29(21,25)26/h3-11,14-15,22H,12-13H2,1-2H3,(H2,21,25,26)
InChIKeyWKPDVDICUKTAGX-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.30
Rot. Bonds8

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

3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 42346810) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID42346810
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H24N4O4S2/c1-15(2)24-14-19(20(23-24)17-6-4-3-5-7-17)30(27,28)22-13-12-16-8-10-18(11-9-16)29(21,25)26/h3-11,14-15,22H,12-13H2,1-2H3,(H2,21,25,26)
InChIKeyWKPDVDICUKTAGX-UHFFFAOYSA-N
XLogP2.30
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346454
N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346407
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42283119
3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 42285555
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
5-(benzenesulfonyl)-2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 57430146
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350352
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonamide
CID 60906181
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide (CID 42346810) is 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is WKPDVDICUKTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-15(2)24-14-19(20(23-24)17-6-4-3-5-7-17)30(27,28)22-13-12-16-8-10-18(11-9-16)29(21,25)26/h3-11,14-15,22H,12-13H2,1-2H3,(H2,21,25,26).
What are the key properties of 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 448.57 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42346810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).