3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide

C17H17N3O2S2 — CID 122277014

IUPAC3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1C
InChIInChI=1S/C17H17N3O2S2/c1-12-3-4-15(9-13(12)2)24(21,22)20-10-16-17(19-7-6-18-16)14-5-8-23-11-14/h3-9,11,20H,10H2,1-2H3
InChIKeyBAMWEQWNIDVIMY-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.30
Rot. Bonds5

About 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122277014) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID122277014
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1C
InChIInChI=1S/C17H17N3O2S2/c1-12-3-4-15(9-13(12)2)24(21,22)20-10-16-17(19-7-6-18-16)14-5-8-23-11-14/h3-9,11,20H,10H2,1-2H3
InChIKeyBAMWEQWNIDVIMY-UHFFFAOYSA-N
XLogP3.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277039
3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide
CID 122276744
3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597078
2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide
CID 122277004
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277073
1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide
CID 122277055
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177917
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 126851725
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide (CID 122277014) is 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is BAMWEQWNIDVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-3-4-15(9-13(12)2)24(21,22)20-10-16-17(19-7-6-18-16)14-5-8-23-11-14/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122277014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).