1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide

C19H22N4O4S2 — CID 42283119

IUPAC1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H22N4O4S2/c1-15-19(14-23(22-15)13-17-5-3-2-4-6-17)29(26,27)21-12-11-16-7-9-18(10-8-16)28(20,24)25/h2-10,14,21H,11-13H2,1H3,(H2,20,24,25)
InChIKeyXFJHKPSIDBGALR-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.41
Rot. Bonds8

About 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide

1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 42283119) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID42283119
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H22N4O4S2/c1-15-19(14-23(22-15)13-17-5-3-2-4-6-17)29(26,27)21-12-11-16-7-9-18(10-8-16)28(20,24)25/h2-10,14,21H,11-13H2,1H3,(H2,20,24,25)
InChIKeyXFJHKPSIDBGALR-UHFFFAOYSA-N
XLogP1.41
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42346810
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
5-(benzenesulfonyl)-2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 57430146
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide (CID 42283119) is 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is XFJHKPSIDBGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-15-19(14-23(22-15)13-17-5-3-2-4-6-17)29(26,27)21-12-11-16-7-9-18(10-8-16)28(20,24)25/h2-10,14,21H,11-13H2,1H3,(H2,20,24,25).
What are the key properties of 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 434.54 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42283119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).