3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide

C15H21N3O3S2 — CID 3241995

IUPAC3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C15H21N3O3S2/c1-3-9-18(10-4-2)14(19)8-11-23(20,21)13-7-5-6-12-15(13)17-22-16-12/h5-7H,3-4,8-11H2,1-2H3
InChIKeyQYHIPWSWHMHUML-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.50
Rot. Bonds8

About 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide (PubChem CID 3241995) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide
PubChem CID3241995
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C15H21N3O3S2/c1-3-9-18(10-4-2)14(19)8-11-23(20,21)13-7-5-6-12-15(13)17-22-16-12/h5-7H,3-4,8-11H2,1-2H3
InChIKeyQYHIPWSWHMHUML-UHFFFAOYSA-N
XLogP2.50
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide (CID 3241995) is 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide?
The InChIKey is QYHIPWSWHMHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-3-9-18(10-4-2)14(19)8-11-23(20,21)13-7-5-6-12-15(13)17-22-16-12/h5-7H,3-4,8-11H2,1-2H3.
What are the key properties of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide?
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide has a molecular weight of 355.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide is sourced from PubChem (CID 3241995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).