7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

C20H22FN3O3S — CID 3233457

IUPAC7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C20H22FN3O3S/c21-16-5-4-6-17(13-16)22-19(25)23-14-20(15-23)9-11-24(12-10-20)28(26,27)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,22,25)
InChIKeyLVWKQKBWFTVHLB-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.14
Rot. Bonds3

About 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3233457) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3233457
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C20H22FN3O3S/c21-16-5-4-6-17(13-16)22-19(25)23-14-20(15-23)9-11-24(12-10-20)28(26,27)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,22,25)
InChIKeyLVWKQKBWFTVHLB-UHFFFAOYSA-N
XLogP3.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3234315
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3233457) is 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is O=C(Nc1cccc(F)c1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is LVWKQKBWFTVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c21-16-5-4-6-17(13-16)22-19(25)23-14-20(15-23)9-11-24(12-10-20)28(26,27)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,22,25).
What are the key properties of 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3233457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).