N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

C18H17ClN4O3S — CID 1017937

IUPACN-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13(24)20-15-6-8-16(9-7-15)27(25,26)22-18-10-11-23(21-18)12-14-4-2-3-5-17(14)19/h2-11H,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyQYWUNXCHRWFYTI-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.34
Rot. Bonds6

About N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1017937) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID1017937
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13(24)20-15-6-8-16(9-7-15)27(25,26)22-18-10-11-23(21-18)12-14-4-2-3-5-17(14)19/h2-11H,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyQYWUNXCHRWFYTI-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-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-nitrobenzenesulfonamide
CID 1223833
3-[4-[(2-chlorophenyl)methylsulfamoyl]anilino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 91819676
4-[({[4-chloro-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]amino}carbonothioyl)amino]benzenesulfonamide
CID 2172598
(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2471485
N-[(2-Chlorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914765
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-methylpyrazol-3-yl)amino]acetamide
CID 44439629
N-[(4-chlorophenyl)methyl]-2-[(2-ethylpyrazol-3-yl)-(4-methylphenyl)sulfonylamino]acetamide
CID 44439630
N-(4-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]sulfonyl}phenyl)acetamide
CID 2815270
N~1~-(3-Chloro-4-methylphenyl)-4-(1H-pyrazol-1-YL)-1-benzenesulfonamide
CID 16022078
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 16335821
1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
CID 57401680
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 7614476

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 1017937) is N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is QYWUNXCHRWFYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-13(24)20-15-6-8-16(9-7-15)27(25,26)22-18-10-11-23(21-18)12-14-4-2-3-5-17(14)19/h2-11H,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(2-chlorophenyl)methyl]pyrazol-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-[(2-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1017937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).