N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

C16H14FN3O2S — CID 164620343

IUPACN-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C16H14FN3O2S/c17-11-3-8-14-15(9-11)18-19-16(14)10-1-6-13(7-2-10)23(21,22)20-12-4-5-12/h1-3,6-9,12,20H,4-5H2,(H,18,19)
InChIKeyIEFLNNDRWIDAIT-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.81
Rot. Bonds4

About N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 164620343) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID164620343
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C16H14FN3O2S/c17-11-3-8-14-15(9-11)18-19-16(14)10-1-6-13(7-2-10)23(21,22)20-12-4-5-12/h1-3,6-9,12,20H,4-5H2,(H,18,19)
InChIKeyIEFLNNDRWIDAIT-UHFFFAOYSA-N
XLogP2.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (CID 164620343) is N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is IEFLNNDRWIDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-11-3-8-14-15(9-11)18-19-16(14)10-1-6-13(7-2-10)23(21,22)20-12-4-5-12/h1-3,6-9,12,20H,4-5H2,(H,18,19).
What are the key properties of N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 164620343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).