2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C22H25ClN4O3S — CID 60552354

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C22H25ClN4O3S/c1-3-27(4-2)31(29,30)19-9-10-21(23)20(14-19)22(28)24-15-17-7-5-8-18(13-17)16-26-12-6-11-25-26/h5-14H,3-4,15-16H2,1-2H3,(H,24,28)
InChIKeyFMTZYYRGEPWMPN-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.55
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 60552354) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID60552354
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C22H25ClN4O3S/c1-3-27(4-2)31(29,30)19-9-10-21(23)20(14-19)22(28)24-15-17-7-5-8-18(13-17)16-26-12-6-11-25-26/h5-14H,3-4,15-16H2,1-2H3,(H,24,28)
InChIKeyFMTZYYRGEPWMPN-UHFFFAOYSA-N
XLogP3.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55955040
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 55768958
4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 60552354) is 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is FMTZYYRGEPWMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-3-27(4-2)31(29,30)19-9-10-21(23)20(14-19)22(28)24-15-17-7-5-8-18(13-17)16-26-12-6-11-25-26/h5-14H,3-4,15-16H2,1-2H3,(H,24,28).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 460.99 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60552354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).