3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide

C11H16FNO3S — CID 115755002

IUPAC3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO3S/c1-8(2)11(14)7-13-17(15,16)10-5-3-4-9(12)6-10/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyLKVMANVLBHBATI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.12
Rot. Bonds5

About 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide

3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide (PubChem CID 115755002) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
PubChem CID115755002
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO3S/c1-8(2)11(14)7-13-17(15,16)10-5-3-4-9(12)6-10/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyLKVMANVLBHBATI-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
3-fluoro-N-propylbenzenesulfonamide
CID 43212857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide (CID 115755002) is 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide is CC(C)C(O)CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The InChIKey is LKVMANVLBHBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-8(2)11(14)7-13-17(15,16)10-5-3-4-9(12)6-10/h3-6,8,11,13-14H,7H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 115755002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).