azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

C18H26N2O3S — CID 8502510

IUPACazocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(19-11-4-2-1-3-5-12-19)16-9-8-10-17(15-16)24(22,23)20-13-6-7-14-20/h8-10,15H,1-7,11-14H2
InChIKeyLVLJDRBNMWCSHU-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.88
Rot. Bonds3

About azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 8502510) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID8502510
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Nameazocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(19-11-4-2-1-3-5-12-19)16-9-8-10-17(15-16)24(22,23)20-13-6-7-14-20/h8-10,15H,1-7,11-14H2
InChIKeyLVLJDRBNMWCSHU-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
1-[4-[4-(3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26886601
[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 9153252
4-[3-(azepan-1-ylsulfonyl)benzoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 24584449
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
tert-butyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 31517353
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439
1-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55922769

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 8502510) is azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is LVLJDRBNMWCSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(19-11-4-2-1-3-5-12-19)16-9-8-10-17(15-16)24(22,23)20-13-6-7-14-20/h8-10,15H,1-7,11-14H2.
What are the key properties of azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 8502510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).