N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide

C18H16BrN3O3S — CID 55699242

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-26(24,25)12-13-6-8-14(9-7-13)18(23)21-16-4-2-3-5-17(16)22-11-15(19)10-20-22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyWJAXTZYUGVDWDP-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 55699242) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID55699242
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-26(24,25)12-13-6-8-14(9-7-13)18(23)21-16-4-2-3-5-17(16)22-11-15(19)10-20-22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyWJAXTZYUGVDWDP-UHFFFAOYSA-N
XLogP3.43
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide 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-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55764650
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 51316561
S-[2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579674
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55699584

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide (CID 55699242) is N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is WJAXTZYUGVDWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c1-26(24,25)12-13-6-8-14(9-7-13)18(23)21-16-4-2-3-5-17(16)22-11-15(19)10-20-22/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 434.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 55699242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).