3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide

C18H26N2O4S2 — CID 127989649

IUPAC3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC3(CCCC3)C2)c1
InChIInChI=1S/C18H26N2O4S2/c21-25(22,19-15-7-8-15)16-5-3-6-17(13-16)26(23,24)20-12-4-11-18(14-20)9-1-2-10-18/h3,5-6,13,15,19H,1-2,4,7-12,14H2
InChIKeyIQXWDTDMCAZFAD-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.47
Rot. Bonds5

About 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide

3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide (PubChem CID 127989649) has the molecular formula C18H26N2O4S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
PubChem CID127989649
Molecular FormulaC18H26N2O4S2
Molecular Weight398.55 g/mol
Exact Mass398.13
IUPAC Name3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC3(CCCC3)C2)c1
InChIInChI=1S/C18H26N2O4S2/c21-25(22,19-15-7-8-15)16-5-3-6-17(13-16)26(23,24)20-12-4-11-18(14-20)9-1-2-10-18/h3,5-6,13,15,19H,1-2,4,7-12,14H2
InChIKeyIQXWDTDMCAZFAD-UHFFFAOYSA-N
XLogP2.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
CID 119960493
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 25044263
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-[3-(cyclopropylsulfamoyl)phenyl]formamide
CID 64992221
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
1-N-(3-chloro-4-methylphenyl)-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 33394628

Frequently Asked Questions

What is the IUPAC name of 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide (CID 127989649) is 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC3(CCCC3)C2)c1.
What is the InChIKey of 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is IQXWDTDMCAZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S2/c21-25(22,19-15-7-8-15)16-5-3-6-17(13-16)26(23,24)20-12-4-11-18(14-20)9-1-2-10-18/h3,5-6,13,15,19H,1-2,4,7-12,14H2.
What are the key properties of 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 398.55 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 127989649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).