N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide

C22H24FN3O6S3 — CID 11606321

IUPACN-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC12CCN(S(=O)(=O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1F)CC2
InChIInChI=1S/C22H24FN3O6S3/c1-33(27,28)24-20-15-22(20)10-12-25(13-11-22)35(31,32)21-14-16-6-2-4-8-18(16)26(21)34(29,30)19-9-5-3-7-17(19)23/h2-9,14,20,24H,10-13,15H2,1H3
InChIKeyMNMLAQUQGTZWKB-UHFFFAOYSA-N
MW541.65 g/mol
LogP2.11
Rot. Bonds6

About N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide

N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide (PubChem CID 11606321) has the molecular formula C22H24FN3O6S3 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
PubChem CID11606321
Molecular FormulaC22H24FN3O6S3
Molecular Weight541.65 g/mol
Exact Mass541.08
IUPAC NameN-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC12CCN(S(=O)(=O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1F)CC2
InChIInChI=1S/C22H24FN3O6S3/c1-33(27,28)24-20-15-22(20)10-12-25(13-11-22)35(31,32)21-14-16-6-2-4-8-18(16)26(21)34(29,30)19-9-5-3-7-17(19)23/h2-9,14,20,24H,10-13,15H2,1H3
InChIKeyMNMLAQUQGTZWKB-UHFFFAOYSA-N
XLogP2.11
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.65
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-2-(trifluoromethylsulfonyl)-2,7-diazaspiro[3.5]nonane
CID 52949380
1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide
CID 52942849
1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide
CID 58862165
N-[6-[4-chloro-2-(2-fluorophenyl)sulfonylphenyl]sulfonyl-6-azaspiro[2.5]octan-2-yl]-2,2,2-trifluoroacetamide
CID 58639112
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78780160

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide (CID 11606321) is N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide is CS(=O)(=O)NC1CC12CCN(S(=O)(=O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1F)CC2.
What is the InChIKey of N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
The InChIKey is MNMLAQUQGTZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O6S3/c1-33(27,28)24-20-15-22(20)10-12-25(13-11-22)35(31,32)21-14-16-6-2-4-8-18(16)26(21)34(29,30)19-9-5-3-7-17(19)23/h2-9,14,20,24H,10-13,15H2,1H3.
What are the key properties of N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide has a molecular weight of 541.65 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 11606321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).