4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide

C21H24BrN3O2S — CID 29089808

IUPAC4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C21H24BrN3O2S/c1-3-25-17(2)19(15-23-25)16-24(14-13-18-7-5-4-6-8-18)28(26,27)21-11-9-20(22)10-12-21/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyZSOKCVCLKVRTLX-UHFFFAOYSA-N
MW462.41 g/mol
LogP4.41
Rot. Bonds8

About 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide

4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 29089808) has the molecular formula C21H24BrN3O2S and a molecular weight of 462.41 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID29089808
Molecular FormulaC21H24BrN3O2S
Molecular Weight462.41 g/mol
Exact Mass461.08
IUPAC Name4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C21H24BrN3O2S/c1-3-25-17(2)19(15-23-25)16-24(14-13-18-7-5-4-6-8-18)28(26,27)21-11-9-20(22)10-12-21/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyZSOKCVCLKVRTLX-UHFFFAOYSA-N
XLogP4.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 171315030
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100790660
5-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 29092270
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29096121
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide (CID 29089808) is 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide is CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C.
What is the InChIKey of 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is ZSOKCVCLKVRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2S/c1-3-25-17(2)19(15-23-25)16-24(14-13-18-7-5-4-6-8-18)28(26,27)21-11-9-20(22)10-12-21/h4-12,15H,3,13-14,16H2,1-2H3.
What are the key properties of 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 462.41 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 29089808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).