2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide

C15H15N5O3S2 — CID 3240970

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C15H15N5O3S2/c1-10-6-7-16-13(8-10)17-14(21)9-20(2)25(22,23)12-5-3-4-11-15(12)19-24-18-11/h3-8H,9H2,1-2H3,(H,16,17,21)
InChIKeyODUYGKVJCLAOEL-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.65
Rot. Bonds5

About 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 3240970) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID3240970
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C15H15N5O3S2/c1-10-6-7-16-13(8-10)17-14(21)9-20(2)25(22,23)12-5-3-4-11-15(12)19-24-18-11/h3-8H,9H2,1-2H3,(H,16,17,21)
InChIKeyODUYGKVJCLAOEL-UHFFFAOYSA-N
XLogP1.65
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide (CID 3240970) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is ODUYGKVJCLAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-10-6-7-16-13(8-10)17-14(21)9-20(2)25(22,23)12-5-3-4-11-15(12)19-24-18-11/h3-8H,9H2,1-2H3,(H,16,17,21).
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 3240970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).