N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

C18H16BrClN4O3S — CID 4560468

IUPACN-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1
InChIInChI=1S/C18H16BrClN4O3S/c1-12(25)21-15-6-8-16(9-7-15)28(26,27)23-18-17(19)11-24(22-18)10-13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyQJCAGHCAKICASQ-UHFFFAOYSA-N
MW483.78 g/mol
LogP4.11
Rot. Bonds6

About N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 4560468) has the molecular formula C18H16BrClN4O3S and a molecular weight of 483.78 g/mol. Its IUPAC name is N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID4560468
Molecular FormulaC18H16BrClN4O3S
Molecular Weight483.78 g/mol
Exact Mass481.98
IUPAC NameN-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1
InChIInChI=1S/C18H16BrClN4O3S/c1-12(25)21-15-6-8-16(9-7-15)28(26,27)23-18-17(19)11-24(22-18)10-13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyQJCAGHCAKICASQ-UHFFFAOYSA-N
XLogP4.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.78
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22201819
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-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 22207196
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
CID 22201835
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
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22201853
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-ethylphenyl)thiourea
CID 19393342
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide
CID 22206113

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 4560468) is N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1.
What is the InChIKey of N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is QJCAGHCAKICASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4O3S/c1-12(25)21-15-6-8-16(9-7-15)28(26,27)23-18-17(19)11-24(22-18)10-13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 483.78 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4560468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).