3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide

C19H24FN5O3S — CID 126466337

IUPAC3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=C(c1cn(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H24FN5O3S/c20-14-4-3-5-17(12-14)29(27,28)22-15-6-8-16(9-7-15)25-13-18(21-23-25)19(26)24-10-1-2-11-24/h3-5,12-13,15-16,22H,1-2,6-11H2
InChIKeyGQNJETYXPONOBA-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.12
Rot. Bonds5

About 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide

3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 126466337) has the molecular formula C19H24FN5O3S and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID126466337
Molecular FormulaC19H24FN5O3S
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=C(c1cn(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H24FN5O3S/c20-14-4-3-5-17(12-14)29(27,28)22-15-6-8-16(9-7-15)25-13-18(21-23-25)19(26)24-10-1-2-11-24/h3-5,12-13,15-16,22H,1-2,6-11H2
InChIKeyGQNJETYXPONOBA-UHFFFAOYSA-N
XLogP2.12
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

US10167293, Example 23
CID 132166572
US10167293, Example 3
CID 132166577
US10167293, Example 25
CID 132166582
US10167293, Example 12
CID 132166607
(8-((3-Fluorophenyl)sulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)(1H-1,2,3-triazol-5-yl)methanone
CID 132166612
US10167293, Example 15
CID 132166615
US10167293, Example 59
CID 132166620
US10167293, Example 16
CID 132166633
US10167293, Example 62
CID 132166652
US10167293, Example 24
CID 132166681
US10167293, Example 1
CID 132166659
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide (CID 126466337) is 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide is O=C(c1cn(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)nn1)N1CCCC1.
What is the InChIKey of 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is GQNJETYXPONOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S/c20-14-4-3-5-17(12-14)29(27,28)22-15-6-8-16(9-7-15)25-13-18(21-23-25)19(26)24-10-1-2-11-24/h3-5,12-13,15-16,22H,1-2,6-11H2.
What are the key properties of 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 126466337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).