4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide

C16H24N4O4S2 — CID 7536005

IUPAC4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H24N4O4S2/c1-6-20(7-2)26(23,24)15-10-8-14(9-11-15)25(21,22)18-16-12(3)17-19(5)13(16)4/h8-11,18H,6-7H2,1-5H3
InChIKeyOZBLYGXPDUZZSH-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.87
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide

4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide (PubChem CID 7536005) has the molecular formula C16H24N4O4S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide
PubChem CID7536005
Molecular FormulaC16H24N4O4S2
Molecular Weight400.53 g/mol
Exact Mass400.12
IUPAC Name4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H24N4O4S2/c1-6-20(7-2)26(23,24)15-10-8-14(9-11-15)25(21,22)18-16-12(3)17-19(5)13(16)4/h8-11,18H,6-7H2,1-5H3
InChIKeyOZBLYGXPDUZZSH-UHFFFAOYSA-N
XLogP1.87
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide (CID 7536005) is 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide?
The InChIKey is OZBLYGXPDUZZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S2/c1-6-20(7-2)26(23,24)15-10-8-14(9-11-15)25(21,22)18-16-12(3)17-19(5)13(16)4/h8-11,18H,6-7H2,1-5H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide?
4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide has a molecular weight of 400.53 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,4-disulfonamide is sourced from PubChem (CID 7536005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).