4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide

C24H29ClN4O3S — CID 55814051

IUPAC4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1Cl
InChIInChI=1S/C24H29ClN4O3S/c1-4-29(5-2)33(31,32)23-16-19(13-14-21(23)25)24(30)28(3)15-9-12-20-17-22(27-26-20)18-10-7-6-8-11-18/h6-8,10-11,13-14,16-17H,4-5,9,12,15H2,1-3H3,(H,26,27)
InChIKeyDFAWBJGCXQCUSK-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.47
Rot. Bonds10

About 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide

4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide (PubChem CID 55814051) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
PubChem CID55814051
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1Cl
InChIInChI=1S/C24H29ClN4O3S/c1-4-29(5-2)33(31,32)23-16-19(13-14-21(23)25)24(30)28(3)15-9-12-20-17-22(27-26-20)18-10-7-6-8-11-18/h6-8,10-11,13-14,16-17H,4-5,9,12,15H2,1-3H3,(H,26,27)
InChIKeyDFAWBJGCXQCUSK-UHFFFAOYSA-N
XLogP4.47
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814945
N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55814145
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55814053
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide (CID 55814051) is 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The InChIKey is DFAWBJGCXQCUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-4-29(5-2)33(31,32)23-16-19(13-14-21(23)25)24(30)28(3)15-9-12-20-17-22(27-26-20)18-10-7-6-8-11-18/h6-8,10-11,13-14,16-17H,4-5,9,12,15H2,1-3H3,(H,26,27).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide has a molecular weight of 489.04 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 55814051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).