N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane

C23H39ClN2O3S — CID 173136016

IUPACN-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane
SMILESC.C.O=C(NCCC1CCCN1S(=O)(=O)c1ccccc1Cl)C1CCCCCCC1
InChIInChI=1S/C21H31ClN2O3S.2CH4/c22-19-12-6-7-13-20(19)28(26,27)24-16-8-11-18(24)14-15-23-21(25)17-9-4-2-1-3-5-10-17;;/h6-7,12-13,17-18H,1-5,8-11,14-16H2,(H,23,25);2*1H4
InChIKeyGPMQEKSZVHUYRF-UHFFFAOYSA-N
MW459.10 g/mol
LogP5.63
Rot. Bonds6

About N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane

N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane (PubChem CID 173136016) has the molecular formula C23H39ClN2O3S and a molecular weight of 459.10 g/mol. Its IUPAC name is N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane.

Molecular Properties

Compound NameN-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane
PubChem CID173136016
Molecular FormulaC23H39ClN2O3S
Molecular Weight459.10 g/mol
Exact Mass458.24
IUPAC NameN-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane
SMILESC.C.O=C(NCCC1CCCN1S(=O)(=O)c1ccccc1Cl)C1CCCCCCC1
InChIInChI=1S/C21H31ClN2O3S.2CH4/c22-19-12-6-7-13-20(19)28(26,27)24-16-8-11-18(24)14-15-23-21(25)17-9-4-2-1-3-5-10-17;;/h6-7,12-13,17-18H,1-5,8-11,14-16H2,(H,23,25);2*1H4
InChIKeyGPMQEKSZVHUYRF-UHFFFAOYSA-N
XLogP5.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.10
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide;methane
CID 173136746
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136747
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
2-[2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 68722665
N'-(2-chlorophenyl)-N-[2-[(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196854
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
N-[[1-(3-chloro-4-hydroxyphenyl)sulfonylpiperidin-2-yl]methyl]cyclooctanecarboxamide;methane
CID 173136367
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249
1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
CID 7280148
N'-[(2-chlorophenyl)methyl]-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194624

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane?
The IUPAC name of N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane (CID 173136016) is N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane.
What is the SMILES notation for N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane?
The canonical SMILES for N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane is C.C.O=C(NCCC1CCCN1S(=O)(=O)c1ccccc1Cl)C1CCCCCCC1.
What is the InChIKey of N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane?
The InChIKey is GPMQEKSZVHUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3S.2CH4/c22-19-12-6-7-13-20(19)28(26,27)24-16-8-11-18(24)14-15-23-21(25)17-9-4-2-1-3-5-10-17;;/h6-7,12-13,17-18H,1-5,8-11,14-16H2,(H,23,25);2*1H4.
What are the key properties of N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane?
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane has a molecular weight of 459.10 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane is sourced from PubChem (CID 173136016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).