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

C19H19BrClN3O2S — CID 22201819

IUPACN-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1
InChIInChI=1S/C19H19BrClN3O2S/c1-2-3-14-6-10-17(11-7-14)27(25,26)23-19-18(20)13-24(22-19)12-15-4-8-16(21)9-5-15/h4-11,13H,2-3,12H2,1H3,(H,22,23)
InChIKeyFZJNISZICUHMSZ-UHFFFAOYSA-N
MW468.80 g/mol
LogP5.10
Rot. Bonds7

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

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide (PubChem CID 22201819) has the molecular formula C19H19BrClN3O2S and a molecular weight of 468.80 g/mol. Its IUPAC name is N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
PubChem CID22201819
Molecular FormulaC19H19BrClN3O2S
Molecular Weight468.80 g/mol
Exact Mass467.01
IUPAC NameN-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1
InChIInChI=1S/C19H19BrClN3O2S/c1-2-3-14-6-10-17(11-7-14)27(25,26)23-19-18(20)13-24(22-19)12-15-4-8-16(21)9-5-15/h4-11,13H,2-3,12H2,1H3,(H,22,23)
InChIKeyFZJNISZICUHMSZ-UHFFFAOYSA-N
XLogP5.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-butan-2-ylbenzenesulfonamide
CID 22201824
N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 4560468
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
CID 22201835
N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
CID 22207169
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide
CID 22206113
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22201853
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201837
5-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22201841
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206688

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide (CID 22201819) is N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1.
What is the InChIKey of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
The InChIKey is FZJNISZICUHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2S/c1-2-3-14-6-10-17(11-7-14)27(25,26)23-19-18(20)13-24(22-19)12-15-4-8-16(21)9-5-15/h4-11,13H,2-3,12H2,1H3,(H,22,23).
What are the key properties of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide?
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide has a molecular weight of 468.80 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22201819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).