N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C28H25N3O2S2 — CID 42351837

IUPACN-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H25N3O2S2/c32-35(33,30(21-24-13-6-2-7-14-24)19-18-23-11-4-1-5-12-23)27-22-31(25-15-8-3-9-16-25)29-28(27)26-17-10-20-34-26/h1-17,20,22H,18-19,21H2
InChIKeyACCGXVTVTAMTOQ-UHFFFAOYSA-N
MW499.66 g/mol
LogP6.03
Rot. Bonds9

About N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351837) has the molecular formula C28H25N3O2S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351837
Molecular FormulaC28H25N3O2S2
Molecular Weight499.66 g/mol
Exact Mass499.14
IUPAC NameN-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H25N3O2S2/c32-35(33,30(21-24-13-6-2-7-14-24)19-18-23-11-4-1-5-12-23)27-22-31(25-15-8-3-9-16-25)29-28(27)26-17-10-20-34-26/h1-17,20,22H,18-19,21H2
InChIKeyACCGXVTVTAMTOQ-UHFFFAOYSA-N
XLogP6.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351271
N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349835
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42352164
4-[benzyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoate
CID 2121570
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42351890
N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236
N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352230
3-cyano-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17468663

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351837) is N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is ACCGXVTVTAMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S2/c32-35(33,30(21-24-13-6-2-7-14-24)19-18-23-11-4-1-5-12-23)27-22-31(25-15-8-3-9-16-25)29-28(27)26-17-10-20-34-26/h1-17,20,22H,18-19,21H2.
What are the key properties of N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 499.66 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).