3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide

C14H20N4O2S — CID 43402494

IUPAC3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C14H20N4O2S/c1-11-14(12(2)17-16-11)21(19,20)15-9-10-18(3)13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyDZGXRGZKEAKZIP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.44
Rot. Bonds6

About 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 43402494) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID43402494
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C14H20N4O2S/c1-11-14(12(2)17-16-11)21(19,20)15-9-10-18(3)13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyDZGXRGZKEAKZIP-UHFFFAOYSA-N
XLogP1.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide (CID 43402494) is 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is DZGXRGZKEAKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-14(12(2)17-16-11)21(19,20)15-9-10-18(3)13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43402494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).