3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

C15H18FN3O2S — CID 90613926

IUPAC3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ncc2c1CCCC2)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2S/c16-13-5-3-6-14(10-13)22(20,21)18-8-9-19-15-7-2-1-4-12(15)11-17-19/h3,5-6,10-11,18H,1-2,4,7-9H2
InChIKeyDCISCGVNCKNFRY-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.88
Rot. Bonds5

About 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90613926) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
PubChem CID90613926
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ncc2c1CCCC2)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2S/c16-13-5-3-6-14(10-13)22(20,21)18-8-9-19-15-7-2-1-4-12(15)11-17-19/h3,5-6,10-11,18H,1-2,4,7-9H2
InChIKeyDCISCGVNCKNFRY-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90613978
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
4-methoxy-3,5-dimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613986
4-ethoxy-3-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613985
1-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90613922
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
CID 90613912
2,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613993
1,3,5-trimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-sulfonamide
CID 90614074
5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 90613943
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (CID 90613926) is 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1ncc2c1CCCC2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is DCISCGVNCKNFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c16-13-5-3-6-14(10-13)22(20,21)18-8-9-19-15-7-2-1-4-12(15)11-17-19/h3,5-6,10-11,18H,1-2,4,7-9H2.
What are the key properties of 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90613926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).