3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide

C18H26N2O4S — CID 97202366

IUPAC3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)N2CCCCCCC2)c1
InChIInChI=1S/C18H26N2O4S/c21-18(19-16-9-12-24-14-16)15-7-6-8-17(13-15)25(22,23)20-10-4-2-1-3-5-11-20/h6-8,13,16H,1-5,9-12,14H2,(H,19,21)/t16-/m0/s1
InChIKeyCXYLLTXKOKGJPW-INIZCTEOSA-N
MW366.48 g/mol
LogP2.16
Rot. Bonds4

About 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide

3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 97202366) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID97202366
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)N2CCCCCCC2)c1
InChIInChI=1S/C18H26N2O4S/c21-18(19-16-9-12-24-14-16)15-7-6-8-17(13-15)25(22,23)20-10-4-2-1-3-5-11-20/h6-8,13,16H,1-5,9-12,14H2,(H,19,21)/t16-/m0/s1
InChIKeyCXYLLTXKOKGJPW-INIZCTEOSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 124785712
N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343559
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55602817
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 72939397
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide (CID 97202366) is 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide is O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)N2CCCCCCC2)c1.
What is the InChIKey of 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is CXYLLTXKOKGJPW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-18(19-16-9-12-24-14-16)15-7-6-8-17(13-15)25(22,23)20-10-4-2-1-3-5-11-20/h6-8,13,16H,1-5,9-12,14H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide?
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 366.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 97202366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).