2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide

C14H18N4O3S2 — CID 3240464

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide
SMILESO=C(CNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1
InChIInChI=1S/C14H18N4O3S2/c19-13(16-10-5-2-1-3-6-10)9-15-23(20,21)12-8-4-7-11-14(12)18-22-17-11/h4,7-8,10,15H,1-3,5-6,9H2,(H,16,19)
InChIKeyBUEROIAOYVUBTJ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.42
Rot. Bonds5

About 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide (PubChem CID 3240464) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide
PubChem CID3240464
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide
SMILESO=C(CNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1
InChIInChI=1S/C14H18N4O3S2/c19-13(16-10-5-2-1-3-6-10)9-15-23(20,21)12-8-4-7-11-14(12)18-22-17-11/h4,7-8,10,15H,1-3,5-6,9H2,(H,16,19)
InChIKeyBUEROIAOYVUBTJ-UHFFFAOYSA-N
XLogP1.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide
CID 71892250
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclopentyl-2-phenylacetamide
CID 3245959
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpyrrolidine-2-carboxamide
CID 20862233
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-4-carboxamide
CID 15994367
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide
CID 46673780
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopentyl-2-oxoacetamide
CID 29128175
N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]-3-cyclopropylurea
CID 46534987
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-cyclohexyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 20862316
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]cyclohexane-1-carboxamide
CID 129425090
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010984
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 94192056

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide (CID 3240464) is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide is O=C(CNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide?
The InChIKey is BUEROIAOYVUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c19-13(16-10-5-2-1-3-6-10)9-15-23(20,21)12-8-4-7-11-14(12)18-22-17-11/h4,7-8,10,15H,1-3,5-6,9H2,(H,16,19).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide has a molecular weight of 354.46 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide is sourced from PubChem (CID 3240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).