N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide

C19H21N3O2S — CID 42346407

IUPACN-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O2S/c1-15(2)22-14-18(19(21-22)17-11-7-4-8-12-17)25(23,24)20-13-16-9-5-3-6-10-16/h3-12,14-15,20H,13H2,1-2H3
InChIKeyVHMGCVFGUMZZQD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.61
Rot. Bonds6

About N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide

N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42346407) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42346407
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O2S/c1-15(2)22-14-18(19(21-22)17-11-7-4-8-12-17)25(23,24)20-13-16-9-5-3-6-10-16/h3-12,14-15,20H,13H2,1-2H3
InChIKeyVHMGCVFGUMZZQD-UHFFFAOYSA-N
XLogP3.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346454
3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 42285555
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42346810
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345419
1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
CID 42348254
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
1-benzyl-N-(2,2-diethoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42348312
3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42282427

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42346407) is N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is VHMGCVFGUMZZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-15(2)22-14-18(19(21-22)17-11-7-4-8-12-17)25(23,24)20-13-16-9-5-3-6-10-16/h3-12,14-15,20H,13H2,1-2H3.
What are the key properties of N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42346407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).