N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide

C11H16FNO3S — CID 94692974

IUPACN-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CO)CS(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-11(2,7-14)8-17(15,16)13-10-6-4-3-5-9(10)12/h3-6,13-14H,7-8H2,1-2H3
InChIKeyLJCHHMJXJNFASN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.59
Rot. Bonds5

About N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide

N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide (PubChem CID 94692974) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
PubChem CID94692974
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CO)CS(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-11(2,7-14)8-17(15,16)13-10-6-4-3-5-9(10)12/h3-6,13-14H,7-8H2,1-2H3
InChIKeyLJCHHMJXJNFASN-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695848
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide
CID 67575937
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide (CID 94692974) is N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide is CC(C)(CO)CS(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is LJCHHMJXJNFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-11(2,7-14)8-17(15,16)13-10-6-4-3-5-9(10)12/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 94692974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).