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

C12H17N3O2S2 — CID 110717209

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c(C)n[nH]c2C)s1
InChIInChI=1S/C12H17N3O2S2/c1-8-4-5-12(18-8)19(16,17)13-7-6-11-9(2)14-15-10(11)3/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyRDIAUXXWICURRJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110717209) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID110717209
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c(C)n[nH]c2C)s1
InChIInChI=1S/C12H17N3O2S2/c1-8-4-5-12(18-8)19(16,17)13-7-6-11-9(2)14-15-10(11)3/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyRDIAUXXWICURRJ-UHFFFAOYSA-N
XLogP1.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 110717184
5-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722046
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 113085634
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568
5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 136767933
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110368533
5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
CID 110401619
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 110717209) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2c(C)n[nH]c2C)s1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is RDIAUXXWICURRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-8-4-5-12(18-8)19(16,17)13-7-6-11-9(2)14-15-10(11)3/h4-5,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110717209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).