6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide

C30H36FN3O3S — CID 70917641

IUPAC6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide
SMILESCc1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCCc1ccc(S(=O)(=O)NCCN3CCOCC3)cc1-2
InChIInChI=1S/C30H36FN3O3S/c1-20(2)29-21(3)28(23-7-10-24(31)11-8-23)26-6-4-5-22-9-12-25(19-27(22)30(26)33-29)38(35,36)32-13-14-34-15-17-37-18-16-34/h7-12,19-20,32H,4-6,13-18H2,1-3H3
InChIKeyUTEVWESQRUGRPB-UHFFFAOYSA-N
MW537.70 g/mol
LogP5.09
Rot. Bonds7

About 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide

6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide (PubChem CID 70917641) has the molecular formula C30H36FN3O3S and a molecular weight of 537.70 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide
PubChem CID70917641
Molecular FormulaC30H36FN3O3S
Molecular Weight537.70 g/mol
Exact Mass537.25
IUPAC Name6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide
SMILESCc1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCCc1ccc(S(=O)(=O)NCCN3CCOCC3)cc1-2
InChIInChI=1S/C30H36FN3O3S/c1-20(2)29-21(3)28(23-7-10-24(31)11-8-23)26-6-4-5-22-9-12-25(19-27(22)30(26)33-29)38(35,36)32-13-14-34-15-17-37-18-16-34/h7-12,19-20,32H,4-6,13-18H2,1-3H3
InChIKeyUTEVWESQRUGRPB-UHFFFAOYSA-N
XLogP5.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide with MolForge

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Related Compounds

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3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
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1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
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4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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CID 8777856
3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
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3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(5-fluoro-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-sulfonamide
CID 177185335
5-(diphenylphosphorylmethyl)-6-(4-fluorophenyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene
CID 21357575

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide?
The IUPAC name of 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide (CID 70917641) is 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide?
The canonical SMILES for 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide is Cc1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCCc1ccc(S(=O)(=O)NCCN3CCOCC3)cc1-2.
What is the InChIKey of 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide?
The InChIKey is UTEVWESQRUGRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O3S/c1-20(2)29-21(3)28(23-7-10-24(31)11-8-23)26-6-4-5-22-9-12-25(19-27(22)30(26)33-29)38(35,36)32-13-14-34-15-17-37-18-16-34/h7-12,19-20,32H,4-6,13-18H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide?
6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide has a molecular weight of 537.70 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-14-sulfonamide is sourced from PubChem (CID 70917641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).