N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide

C15H21F2N3O2S — CID 136516182

IUPACN-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide
SMILESCC(C)N(CC(F)F)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H21F2N3O2S/c1-10(2)19(9-15(16)17)23(21,22)13-5-6-14-12(7-13)8-18-20(14)11(3)4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyIGZYXAJWFUNALE-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.28
Rot. Bonds6

About N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide

N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide (PubChem CID 136516182) has the molecular formula C15H21F2N3O2S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide
PubChem CID136516182
Molecular FormulaC15H21F2N3O2S
Molecular Weight345.42 g/mol
Exact Mass345.13
IUPAC NameN-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide
SMILESCC(C)N(CC(F)F)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H21F2N3O2S/c1-10(2)19(9-15(16)17)23(21,22)13-5-6-14-12(7-13)8-18-20(14)11(3)4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyIGZYXAJWFUNALE-UHFFFAOYSA-N
XLogP3.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide (CID 136516182) is N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide is CC(C)N(CC(F)F)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide?
The InChIKey is IGZYXAJWFUNALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2S/c1-10(2)19(9-15(16)17)23(21,22)13-5-6-14-12(7-13)8-18-20(14)11(3)4/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide?
N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,1-di(propan-2-yl)indazole-5-sulfonamide is sourced from PubChem (CID 136516182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).