N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide

C15H17FN2O2S — CID 175711692

IUPACN-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1cccnc1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)18-21(19,20)13-8-4-7-12(16)14(13)11-6-5-9-17-10-11/h4-10,18H,1-3H3
InChIKeyFYOZUVIPICGMSQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.96
Rot. Bonds3

About N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide

N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide (PubChem CID 175711692) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide
PubChem CID175711692
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1cccnc1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)18-21(19,20)13-8-4-7-12(16)14(13)11-6-5-9-17-10-11/h4-10,18H,1-3H3
InChIKeyFYOZUVIPICGMSQ-UHFFFAOYSA-N
XLogP2.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
CID 68896231
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774
N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
CID 48563030
3-chloro-N-(3-chlorophenyl)-2-pyridin-3-ylbenzenesulfonamide
CID 175711710
2-(3-fluoro-2-pyridin-3-ylphenyl)-2-hydroxyacetic acid
CID 46315689
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
3-methyl-2-pyridin-3-ylaniline
CID 22482419
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide (CID 175711692) is N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1cccnc1.
What is the InChIKey of N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide?
The InChIKey is FYOZUVIPICGMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-15(2,3)18-21(19,20)13-8-4-7-12(16)14(13)11-6-5-9-17-10-11/h4-10,18H,1-3H3.
What are the key properties of N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide?
N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 175711692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).