N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide

C19H27ClN2O3S — CID 173136687

IUPACN-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
SMILESO=C(NCC1CN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCCCCCC1
InChIInChI=1S/C19H27ClN2O3S/c20-17-9-6-10-18(11-17)26(24,25)22-13-15(14-22)12-21-19(23)16-7-4-2-1-3-5-8-16/h6,9-11,15-16H,1-5,7-8,12-14H2,(H,21,23)
InChIKeyFODNUIVNHGUJRJ-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.44
Rot. Bonds5

About N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide

N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide (PubChem CID 173136687) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
PubChem CID173136687
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC NameN-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
SMILESO=C(NCC1CN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCCCCCC1
InChIInChI=1S/C19H27ClN2O3S/c20-17-9-6-10-18(11-17)26(24,25)22-13-15(14-22)12-21-19(23)16-7-4-2-1-3-5-8-16/h6,9-11,15-16H,1-5,7-8,12-14H2,(H,21,23)
InChIKeyFODNUIVNHGUJRJ-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
N-[[1-(4-aminophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173135990
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
N-[2-[1-(benzenesulfonyl)pyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136491
1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
CID 20973380
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide?
The IUPAC name of N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide (CID 173136687) is N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide is O=C(NCC1CN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCCCCCC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide?
The InChIKey is FODNUIVNHGUJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c20-17-9-6-10-18(11-17)26(24,25)22-13-15(14-22)12-21-19(23)16-7-4-2-1-3-5-8-16/h6,9-11,15-16H,1-5,7-8,12-14H2,(H,21,23).
What are the key properties of N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide?
N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide is sourced from PubChem (CID 173136687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).