N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

C12H17N3O3S2 — CID 106000617

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C12H17N3O3S2/c1-4-9-10(5-15(3)13-9)14-20(17,18)12-8(2)7-19-11(12)6-16/h5,7,14,16H,4,6H2,1-3H3
InChIKeyMEQLXPHIWAMDIR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.65
Rot. Bonds5

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106000617) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106000617
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C12H17N3O3S2/c1-4-9-10(5-15(3)13-9)14-20(17,18)12-8(2)7-19-11(12)6-16/h5,7,14,16H,4,6H2,1-3H3
InChIKeyMEQLXPHIWAMDIR-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106090329
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
CID 107980210
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
CID 106090358
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (CID 106000617) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is MEQLXPHIWAMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-4-9-10(5-15(3)13-9)14-20(17,18)12-8(2)7-19-11(12)6-16/h5,7,14,16H,4,6H2,1-3H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106000617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).