N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide

C14H18BrN3O2S — CID 60958870

IUPACN-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(C(C)c1ccccc1Br)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C14H18BrN3O2S/c1-3-8-18(21(19,20)12-9-16-17-10-12)11(2)13-6-4-5-7-14(13)15/h4-7,9-11H,3,8H2,1-2H3,(H,16,17)
InChIKeyAXNBBCNLCATZSJ-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.33
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide

N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 60958870) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide
PubChem CID60958870
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC NameN-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(C(C)c1ccccc1Br)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C14H18BrN3O2S/c1-3-8-18(21(19,20)12-9-16-17-10-12)11(2)13-6-4-5-7-14(13)15/h4-7,9-11H,3,8H2,1-2H3,(H,16,17)
InChIKeyAXNBBCNLCATZSJ-UHFFFAOYSA-N
XLogP3.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide 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-[1-(2-bromophenyl)ethyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-sulfonamide
CID 60539947
N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide
CID 60540003
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490
1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55913777
N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877056
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 63234157
N-[1-(2-bromophenyl)ethyl]-1-(3-cyanophenyl)-N-propylmethanesulfonamide
CID 60539888
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide (CID 60958870) is N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide is CCCN(C(C)c1ccccc1Br)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AXNBBCNLCATZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-3-8-18(21(19,20)12-9-16-17-10-12)11(2)13-6-4-5-7-14(13)15/h4-7,9-11H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide?
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 372.29 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60958870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).