N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide

C19H20BrN3O2S — CID 22204619

IUPACN-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-2-3-15-6-10-18(11-7-15)26(24,25)22-19-12-13-23(21-19)14-16-4-8-17(20)9-5-16/h4-13H,2-3,14H2,1H3,(H,21,22)
InChIKeyWOTSIPXPKOFQMQ-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.45
Rot. Bonds7

About N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide

N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide (PubChem CID 22204619) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
PubChem CID22204619
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC NameN-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-2-3-15-6-10-18(11-7-15)26(24,25)22-19-12-13-23(21-19)14-16-4-8-17(20)9-5-16/h4-13H,2-3,14H2,1H3,(H,21,22)
InChIKeyWOTSIPXPKOFQMQ-UHFFFAOYSA-N
XLogP4.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-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-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22205631
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22204637
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842192
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22201819
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
CID 53017323
4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206833
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide (CID 22204619) is N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
The InChIKey is WOTSIPXPKOFQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c1-2-3-15-6-10-18(11-7-15)26(24,25)22-19-12-13-23(21-19)14-16-4-8-17(20)9-5-16/h4-13H,2-3,14H2,1H3,(H,21,22).
What are the key properties of N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide has a molecular weight of 434.36 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22204619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).