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

C18H16Cl2N4O3S — CID 22206950

IUPACN-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C18H16Cl2N4O3S/c1-12(25)21-14-3-5-15(6-4-14)28(26,27)23-18-8-9-24(22-18)11-13-2-7-16(19)17(20)10-13/h2-10H,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyHSOKJKULGFNXQC-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.00
Rot. Bonds6

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

N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22206950) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID22206950
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC NameN-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C18H16Cl2N4O3S/c1-12(25)21-14-3-5-15(6-4-14)28(26,27)23-18-8-9-24(22-18)11-13-2-7-16(19)17(20)10-13/h2-10H,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyHSOKJKULGFNXQC-UHFFFAOYSA-N
XLogP4.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 22206950) is N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HSOKJKULGFNXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/c1-12(25)21-14-3-5-15(6-4-14)28(26,27)23-18-8-9-24(22-18)11-13-2-7-16(19)17(20)10-13/h2-10H,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 439.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22206950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).