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

C19H24FN5O3S — CID 26363324

IUPAC2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=C(c1cn(C2CCC(NS(=O)(=O)c3ccccc3F)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H24FN5O3S/c20-16-5-1-2-6-18(16)29(27,28)22-14-7-9-15(10-8-14)25-13-17(21-23-25)19(26)24-11-3-4-12-24/h1-2,5-6,13-15,22H,3-4,7-12H2
InChIKeyBJYBZAOTDQFONY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.12
Rot. Bonds5

About 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide

2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 26363324) has the molecular formula C19H24FN5O3S and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID26363324
Molecular FormulaC19H24FN5O3S
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=C(c1cn(C2CCC(NS(=O)(=O)c3ccccc3F)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H24FN5O3S/c20-16-5-1-2-6-18(16)29(27,28)22-14-7-9-15(10-8-14)25-13-17(21-23-25)19(26)24-11-3-4-12-24/h1-2,5-6,13-15,22H,3-4,7-12H2
InChIKeyBJYBZAOTDQFONY-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 2-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 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide (CID 26363324) is 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide is O=C(c1cn(C2CCC(NS(=O)(=O)c3ccccc3F)CC2)nn1)N1CCCC1.
What is the InChIKey of 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is BJYBZAOTDQFONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S/c20-16-5-1-2-6-18(16)29(27,28)22-14-7-9-15(10-8-14)25-13-17(21-23-25)19(26)24-11-3-4-12-24/h1-2,5-6,13-15,22H,3-4,7-12H2.
What are the key properties of 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
2-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 2-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 26363324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).