5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide

C16H14ClN3O2S2 — CID 122277039

IUPAC5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H14ClN3O2S2/c1-11-2-3-13(17)8-15(11)24(21,22)20-9-14-16(19-6-5-18-14)12-4-7-23-10-12/h2-8,10,20H,9H2,1H3
InChIKeyQZJJKGPAWBJNSF-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.65
Rot. Bonds5

About 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide

5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122277039) has the molecular formula C16H14ClN3O2S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID122277039
Molecular FormulaC16H14ClN3O2S2
Molecular Weight379.89 g/mol
Exact Mass379.02
IUPAC Name5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H14ClN3O2S2/c1-11-2-3-13(17)8-15(11)24(21,22)20-9-14-16(19-6-5-18-14)12-4-7-23-10-12/h2-8,10,20H,9H2,1H3
InChIKeyQZJJKGPAWBJNSF-UHFFFAOYSA-N
XLogP3.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide (CID 122277039) is 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is QZJJKGPAWBJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S2/c1-11-2-3-13(17)8-15(11)24(21,22)20-9-14-16(19-6-5-18-14)12-4-7-23-10-12/h2-8,10,20H,9H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 379.89 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122277039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).