N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

C19H20FN3O2S — CID 164628813

IUPACN-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H20FN3O2S/c20-14-9-10-17-18(12-14)21-22-19(17)13-5-4-8-16(11-13)26(24,25)23-15-6-2-1-3-7-15/h4-5,8-12,15,23H,1-3,6-7H2,(H,21,22)
InChIKeyZLQJGWLCGQCGOM-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.98
Rot. Bonds4

About N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 164628813) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID164628813
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H20FN3O2S/c20-14-9-10-17-18(12-14)21-22-19(17)13-5-4-8-16(11-13)26(24,25)23-15-6-2-1-3-7-15/h4-5,8-12,15,23H,1-3,6-7H2,(H,21,22)
InChIKeyZLQJGWLCGQCGOM-UHFFFAOYSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (CID 164628813) is N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1.
What is the InChIKey of N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is ZLQJGWLCGQCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c20-14-9-10-17-18(12-14)21-22-19(17)13-5-4-8-16(11-13)26(24,25)23-15-6-2-1-3-7-15/h4-5,8-12,15,23H,1-3,6-7H2,(H,21,22).
What are the key properties of N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 164628813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).