2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide

C14H21ClFNO3S — CID 173116143

IUPAC2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide
SMILESCC(C)(C)CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFNO3S/c1-14(2,3)7-6-11(9-18)17-21(19,20)13-5-4-10(16)8-12(13)15/h4-5,8,11,17-18H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyVJZGOAHFNXKGJZ-LLVKDONJSA-N
MW337.84 g/mol
LogP2.94
Rot. Bonds6

About 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide

2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide (PubChem CID 173116143) has the molecular formula C14H21ClFNO3S and a molecular weight of 337.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide
PubChem CID173116143
Molecular FormulaC14H21ClFNO3S
Molecular Weight337.84 g/mol
Exact Mass337.09
IUPAC Name2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide
SMILESCC(C)(C)CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFNO3S/c1-14(2,3)7-6-11(9-18)17-21(19,20)13-5-4-10(16)8-12(13)15/h4-5,8,11,17-18H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyVJZGOAHFNXKGJZ-LLVKDONJSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide (CID 173116143) is 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide is CC(C)(C)CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide?
The InChIKey is VJZGOAHFNXKGJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClFNO3S/c1-14(2,3)7-6-11(9-18)17-21(19,20)13-5-4-10(16)8-12(13)15/h4-5,8,11,17-18H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide?
2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide has a molecular weight of 337.84 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide is sourced from PubChem (CID 173116143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).