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

C11H15ClFNO3S — CID 115755068

IUPAC4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H15ClFNO3S/c1-7(2)10(15)6-14-18(16,17)11-4-3-8(12)5-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3
InChIKeySAYHKHRYZCVJFN-UHFFFAOYSA-N
MW295.76 g/mol
LogP1.77
Rot. Bonds5

About 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide

4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide (PubChem CID 115755068) has the molecular formula C11H15ClFNO3S and a molecular weight of 295.76 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
PubChem CID115755068
Molecular FormulaC11H15ClFNO3S
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H15ClFNO3S/c1-7(2)10(15)6-14-18(16,17)11-4-3-8(12)5-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3
InChIKeySAYHKHRYZCVJFN-UHFFFAOYSA-N
XLogP1.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066352
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 47121966
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide (CID 115755068) is 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide is CC(C)C(O)CNS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
The InChIKey is SAYHKHRYZCVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO3S/c1-7(2)10(15)6-14-18(16,17)11-4-3-8(12)5-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3.
What are the key properties of 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide?
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide has a molecular weight of 295.76 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 115755068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).