4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide

C19H27N5O3S2 — CID 46673780

IUPAC4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C19H27N5O3S2/c25-19(20-15-7-4-2-1-3-5-8-15)23-11-13-24(14-12-23)29(26,27)17-10-6-9-16-18(17)22-28-21-16/h6,9-10,15H,1-5,7-8,11-14H2,(H,20,25)
InChIKeyFNGWYGMGQBVUJH-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.82
Rot. Bonds3

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

4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide (PubChem CID 46673780) has the molecular formula C19H27N5O3S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide
PubChem CID46673780
Molecular FormulaC19H27N5O3S2
Molecular Weight437.59 g/mol
Exact Mass437.16
IUPAC Name4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C19H27N5O3S2/c25-19(20-15-7-4-2-1-3-5-8-15)23-11-13-24(14-12-23)29(26,27)17-10-6-9-16-18(17)22-28-21-16/h6,9-10,15H,1-5,7-8,11-14H2,(H,20,25)
InChIKeyFNGWYGMGQBVUJH-UHFFFAOYSA-N
XLogP2.82
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopentyl-2-oxoacetamide
CID 29128175
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-4-carboxamide
CID 15994367
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 29133699
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpyrrolidine-2-carboxamide
CID 20862233
azepan-1-yl-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]methanone
CID 20853463
trans-(1R,2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]cyclohexan-1-ol
CID 155959795
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-cyclohexylideneethanone
CID 60573623
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide
CID 3240464
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 42569353
N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811227
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 96542131

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide (CID 46673780) is 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide is O=C(NC1CCCCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide?
The InChIKey is FNGWYGMGQBVUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S2/c25-19(20-15-7-4-2-1-3-5-8-15)23-11-13-24(14-12-23)29(26,27)17-10-6-9-16-18(17)22-28-21-16/h6,9-10,15H,1-5,7-8,11-14H2,(H,20,25).
What are the key properties of 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide?
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide is sourced from PubChem (CID 46673780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).