3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide

C18H23N5O2S — CID 171909178

IUPAC3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(-c2cnn(C)c2)c(C)c1)c1ccnn1C
InChIInChI=1S/C18H23N5O2S/c1-5-17(18-8-9-19-23(18)4)21-26(24,25)15-6-7-16(13(2)10-15)14-11-20-22(3)12-14/h6-12,17,21H,5H2,1-4H3
InChIKeyJQAHIOVQBIVEQB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.56
Rot. Bonds6

About 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide

3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide (PubChem CID 171909178) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide
PubChem CID171909178
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(-c2cnn(C)c2)c(C)c1)c1ccnn1C
InChIInChI=1S/C18H23N5O2S/c1-5-17(18-8-9-19-23(18)4)21-26(24,25)15-6-7-16(13(2)10-15)14-11-20-22(3)12-14/h6-12,17,21H,5H2,1-4H3
InChIKeyJQAHIOVQBIVEQB-UHFFFAOYSA-N
XLogP2.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide (CID 171909178) is 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(-c2cnn(C)c2)c(C)c1)c1ccnn1C.
What is the InChIKey of 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide?
The InChIKey is JQAHIOVQBIVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-5-17(18-8-9-19-23(18)4)21-26(24,25)15-6-7-16(13(2)10-15)14-11-20-22(3)12-14/h6-12,17,21H,5H2,1-4H3.
What are the key properties of 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide?
3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 171909178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).