(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole

C18H23NO2S — CID 102377027

IUPAC(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole
SMILESCc1ccc(S(=O)(=O)N2CC3=C(CCCCC/C=C\3)C2)cc1
InChIInChI=1S/C18H23NO2S/c1-15-9-11-18(12-10-15)22(20,21)19-13-16-7-5-3-2-4-6-8-17(16)14-19/h5,7,9-12H,2-4,6,8,13-14H2,1H3/b7-5-
InChIKeyPHHYHERCMGTLCX-ALCCZGGFSA-N
MW317.45 g/mol
LogP3.82
Rot. Bonds2

About (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole

(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole (PubChem CID 102377027) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole.

Molecular Properties

Compound Name(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole
PubChem CID102377027
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole
SMILESCc1ccc(S(=O)(=O)N2CC3=C(CCCCC/C=C\3)C2)cc1
InChIInChI=1S/C18H23NO2S/c1-15-9-11-18(12-10-15)22(20,21)19-13-16-7-5-3-2-4-6-8-17(16)14-19/h5,7,9-12H,2-4,6,8,13-14H2,1H3/b7-5-
InChIKeyPHHYHERCMGTLCX-ALCCZGGFSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole with MolForge

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Related Compounds

2-(4-methylphenyl)sulfonyl-1,3,4,7,8,9-hexahydrocyclohepta[c]pyridine
CID 11771127
(5Z,8Z)-2-(4-methylphenyl)sulfonyl-1,3,4,7-tetrahydrocycloocta[c]pyrrole
CID 101426605
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
(6Z)-1-(4-methylphenyl)sulfonyl-2,4,5,8-tetrahydroazocin-3-one
CID 102167757
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
(3Z,8E)-3-methyl-1-(4-methylphenyl)sulfonyl-5,6,7,10-tetrahydro-2H-azecine
CID 177481345
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole?
The IUPAC name of (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole (CID 102377027) is (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole.
What is the SMILES notation for (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole?
The canonical SMILES for (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole is Cc1ccc(S(=O)(=O)N2CC3=C(CCCCC/C=C\3)C2)cc1.
What is the InChIKey of (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole?
The InChIKey is PHHYHERCMGTLCX-ALCCZGGFSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-15-9-11-18(12-10-15)22(20,21)19-13-16-7-5-3-2-4-6-8-17(16)14-19/h5,7,9-12H,2-4,6,8,13-14H2,1H3/b7-5-.
What are the key properties of (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole?
(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole has a molecular weight of 317.45 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole is sourced from PubChem (CID 102377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).