N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide

C18H18N4O3S — CID 55814374

IUPACN-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-19-18(23)15-5-9-17(10-6-15)26(24,25)21-16-7-3-14(4-8-16)13-22-12-2-11-20-22/h2-12,21H,13H2,1H3,(H,19,23)
InChIKeyLWZAEGSGBUBPER-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.09
Rot. Bonds6

About N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide

N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide (PubChem CID 55814374) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
PubChem CID55814374
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-19-18(23)15-5-9-17(10-6-15)26(24,25)21-16-7-3-14(4-8-16)13-22-12-2-11-20-22/h2-12,21H,13H2,1H3,(H,19,23)
InChIKeyLWZAEGSGBUBPER-UHFFFAOYSA-N
XLogP2.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
CID 174850179
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 60934231
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26045640
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide (CID 55814374) is N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is LWZAEGSGBUBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-19-18(23)15-5-9-17(10-6-15)26(24,25)21-16-7-3-14(4-8-16)13-22-12-2-11-20-22/h2-12,21H,13H2,1H3,(H,19,23).
What are the key properties of N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 55814374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).