N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide

C18H17ClN4O3S — CID 22207196

IUPACN-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13(24)20-15-7-9-16(10-8-15)27(25,26)22-18-17(19)12-23(21-18)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyUHGKCBFKSXBJTM-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.34
Rot. Bonds6

About N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 22207196) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID22207196
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13(24)20-15-7-9-16(10-8-15)27(25,26)22-18-17(19)12-23(21-18)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyUHGKCBFKSXBJTM-UHFFFAOYSA-N
XLogP3.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
CID 22207169
N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 4560468
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22207203
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
1-(1-benzyl-4-chloropyrazol-3-yl)-3-phenylthiourea
CID 19399488
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-(1-benzyl-4-chloropyrazol-3-yl)-3-propan-2-ylthiourea
CID 19399529

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide (CID 22207196) is N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1.
What is the InChIKey of N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is UHGKCBFKSXBJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-13(24)20-15-7-9-16(10-8-15)27(25,26)22-18-17(19)12-23(21-18)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 404.88 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22207196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).