3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide

C17H24N4O3S — CID 74242520

IUPAC3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide
SMILESCc1n[nH]c(C)c1CCN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C17H24N4O3S/c1-12-16(13(2)19-18-12)9-10-21(5)25(23,24)15-8-6-7-14(11-15)17(22)20(3)4/h6-8,11H,9-10H2,1-5H3,(H,18,19)
InChIKeyKDQRHZGZAFOSBQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.59
Rot. Bonds6

About 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide

3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide (PubChem CID 74242520) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide
PubChem CID74242520
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide
SMILESCc1n[nH]c(C)c1CCN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C17H24N4O3S/c1-12-16(13(2)19-18-12)9-10-21(5)25(23,24)15-8-6-7-14(11-15)17(22)20(3)4/h6-8,11H,9-10H2,1-5H3,(H,18,19)
InChIKeyKDQRHZGZAFOSBQ-UHFFFAOYSA-N
XLogP1.59
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
CID 118777151
N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide
CID 87024621
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 118761715
N-methyl-3-methylsulfonyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511771
3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716109
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 63694828
3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]benzoic acid
CID 61384560
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
CID 119059144
3-[5-hydroxypentyl(methyl)sulfamoyl]benzoic acid
CID 104651414

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide (CID 74242520) is 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide is Cc1n[nH]c(C)c1CCN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is KDQRHZGZAFOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12-16(13(2)19-18-12)9-10-21(5)25(23,24)15-8-6-7-14(11-15)17(22)20(3)4/h6-8,11H,9-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide?
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 364.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylsulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 74242520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).