N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide

C17H21BrF3N3O2S — CID 22208656

IUPACN-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Br)c2C)cc1
InChIInChI=1S/C17H21BrF3N3O2S/c1-3-5-13-6-8-14(9-7-13)27(25,26)22-10-4-11-24-12(2)15(18)16(23-24)17(19,20)21/h6-9,22H,3-5,10-11H2,1-2H3
InChIKeyIXYPPVZKSVKDSY-UHFFFAOYSA-N
MW468.34 g/mol
LogP4.29
Rot. Bonds8

About N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide

N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide (PubChem CID 22208656) has the molecular formula C17H21BrF3N3O2S and a molecular weight of 468.34 g/mol. Its IUPAC name is N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide
PubChem CID22208656
Molecular FormulaC17H21BrF3N3O2S
Molecular Weight468.34 g/mol
Exact Mass467.05
IUPAC NameN-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Br)c2C)cc1
InChIInChI=1S/C17H21BrF3N3O2S/c1-3-5-13-6-8-14(9-7-13)27(25,26)22-10-4-11-24-12(2)15(18)16(23-24)17(19,20)21/h6-9,22H,3-5,10-11H2,1-2H3
InChIKeyIXYPPVZKSVKDSY-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitrobenzenesulfonamide
CID 22208652
4-bromo-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22208601
N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-nitrobenzenesulfonamide
CID 22208675
N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22208688
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-ethoxybenzenesulfonamide
CID 22208605
4-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207644
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-(2-methylpropyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207651
N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-4-propylbenzenesulfonamide
CID 55914929
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 19551944
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitrobenzenesulfonamide
CID 17022840

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide (CID 22208656) is N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Br)c2C)cc1.
What is the InChIKey of N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide?
The InChIKey is IXYPPVZKSVKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrF3N3O2S/c1-3-5-13-6-8-14(9-7-13)27(25,26)22-10-4-11-24-12(2)15(18)16(23-24)17(19,20)21/h6-9,22H,3-5,10-11H2,1-2H3.
What are the key properties of N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide?
N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide has a molecular weight of 468.34 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22208656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).