N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide

C16H17F2NO2S — CID 141068043

IUPACN-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(F)cc1-c1cccc(F)c1
InChIInChI=1S/C16H17F2NO2S/c1-16(2,3)19-22(20,21)15-8-7-13(18)10-14(15)11-5-4-6-12(17)9-11/h4-10,19H,1-3H3
InChIKeyBOBFFDYBJMBSJA-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.71
Rot. Bonds3

About N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide

N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide (PubChem CID 141068043) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide
PubChem CID141068043
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC NameN-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(F)cc1-c1cccc(F)c1
InChIInChI=1S/C16H17F2NO2S/c1-16(2,3)19-22(20,21)15-8-7-13(18)10-14(15)11-5-4-6-12(17)9-11/h4-10,19H,1-3H3
InChIKeyBOBFFDYBJMBSJA-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylbenzene-1-sulfonamide
CID 12371520
N-methyl-2-phenylbenzene-1-sulfonamide
CID 17917283
N-ethyl-2-phenylbenzene-1-sulfonamide
CID 101721160
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
N-[1-(3,5-difluorophenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725492
2-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 54673209
2-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 89886501
2-phenyl-N-propylbenzenesulfonamide
CID 91593030
2-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 137651397
3,4-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 2422444
4-[4-(4-Fluorophenyl)-1,1-dimethylcyclopenta-2,4-dien-3-yl]benzenesulfonamide
CID 10154505
Benzenesulfonamide, 4-methyl-N-(1-(phenylmethyl)cyclopentyl)-
CID 218221

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide (CID 141068043) is N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(F)cc1-c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is BOBFFDYBJMBSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-16(2,3)19-22(20,21)15-8-7-13(18)10-14(15)11-5-4-6-12(17)9-11/h4-10,19H,1-3H3.
What are the key properties of N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide?
N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoro-2-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 141068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).