N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide

C14H19N3O2S2 — CID 43402461

IUPACN,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCSc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H19N3O2S2/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyVMUSHRQTVYFROU-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.57
Rot. Bonds5

About N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 43402461) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID43402461
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCSc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H19N3O2S2/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyVMUSHRQTVYFROU-UHFFFAOYSA-N
XLogP2.57
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 43402461) is N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide is CSc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VMUSHRQTVYFROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43402461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).