N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide

C12H16FN3O2S — CID 19083171

IUPACN-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide
SMILESCn1nc(S(=O)(=O)NC(C)(C)C)c2c(F)cccc21
InChIInChI=1S/C12H16FN3O2S/c1-12(2,3)15-19(17,18)11-10-8(13)6-5-7-9(10)16(4)14-11/h5-7,15H,1-4H3
InChIKeyHITAGLZSKDMOJB-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.79
Rot. Bonds2

About N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide

N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide (PubChem CID 19083171) has the molecular formula C12H16FN3O2S and a molecular weight of 285.34 g/mol. Its IUPAC name is N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide
PubChem CID19083171
Molecular FormulaC12H16FN3O2S
Molecular Weight285.34 g/mol
Exact Mass285.09
IUPAC NameN-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide
SMILESCn1nc(S(=O)(=O)NC(C)(C)C)c2c(F)cccc21
InChIInChI=1S/C12H16FN3O2S/c1-12(2,3)15-19(17,18)11-10-8(13)6-5-7-9(10)16(4)14-11/h5-7,15H,1-4H3
InChIKeyHITAGLZSKDMOJB-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide?
The IUPAC name of N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide (CID 19083171) is N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide?
The canonical SMILES for N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide is Cn1nc(S(=O)(=O)NC(C)(C)C)c2c(F)cccc21.
What is the InChIKey of N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide?
The InChIKey is HITAGLZSKDMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2S/c1-12(2,3)15-19(17,18)11-10-8(13)6-5-7-9(10)16(4)14-11/h5-7,15H,1-4H3.
What are the key properties of N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide?
N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide has a molecular weight of 285.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoro-1-methylindazole-3-sulfonamide is sourced from PubChem (CID 19083171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).