N-butyl-1,3-diphenylpyrazole-4-sulfonamide

C19H21N3O2S — CID 42349141

IUPACN-butyl-1,3-diphenylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-2-3-14-20-25(23,24)18-15-22(17-12-8-5-9-13-17)21-19(18)16-10-6-4-7-11-16/h4-13,15,20H,2-3,14H2,1H3
InChIKeyPAKOLNODGWNEOE-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.62
Rot. Bonds7

About N-butyl-1,3-diphenylpyrazole-4-sulfonamide

N-butyl-1,3-diphenylpyrazole-4-sulfonamide (PubChem CID 42349141) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-butyl-1,3-diphenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,3-diphenylpyrazole-4-sulfonamide
PubChem CID42349141
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-butyl-1,3-diphenylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-2-3-14-20-25(23,24)18-15-22(17-12-8-5-9-13-17)21-19(18)16-10-6-4-7-11-16/h4-13,15,20H,2-3,14H2,1H3
InChIKeyPAKOLNODGWNEOE-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
CID 42349187
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea
CID 19325003
3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346454
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-diphenylpyrazole-4-sulfonamide?
The IUPAC name of N-butyl-1,3-diphenylpyrazole-4-sulfonamide (CID 42349141) is N-butyl-1,3-diphenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-1,3-diphenylpyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-1,3-diphenylpyrazole-4-sulfonamide is CCCCNS(=O)(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-butyl-1,3-diphenylpyrazole-4-sulfonamide?
The InChIKey is PAKOLNODGWNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-3-14-20-25(23,24)18-15-22(17-12-8-5-9-13-17)21-19(18)16-10-6-4-7-11-16/h4-13,15,20H,2-3,14H2,1H3.
What are the key properties of N-butyl-1,3-diphenylpyrazole-4-sulfonamide?
N-butyl-1,3-diphenylpyrazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-diphenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).