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

C18H17ClN4O3S — CID 22201718

IUPACN-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13(24)20-16-6-8-17(9-7-16)27(25,26)22-18-10-11-23(21-18)12-14-2-4-15(19)5-3-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyTYROPJNRSMYLQY-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.34
Rot. Bonds6

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

N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22201718) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID22201718
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13(24)20-16-6-8-17(9-7-16)27(25,26)22-18-10-11-23(21-18)12-14-2-4-15(19)5-3-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyTYROPJNRSMYLQY-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 22201718) is N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is TYROPJNRSMYLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-13(24)20-16-6-8-17(9-7-16)27(25,26)22-18-10-11-23(21-18)12-14-2-4-15(19)5-3-14/h2-11H,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(4-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-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22201718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).