N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide

C18H20F3NO3S — CID 129034613

IUPACN-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide
SMILESCCC[C@H](CCO)NS(=O)(=O)c1ccc(-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C18H20F3NO3S/c1-2-3-14(8-9-23)22-26(24,25)15-6-4-12(5-7-15)18-16(20)10-13(19)11-17(18)21/h4-7,10-11,14,22-23H,2-3,8-9H2,1H3/t14-/m1/s1
InChIKeyUGDGKGUYSKEJJL-CQSZACIVSA-N
MW387.42 g/mol
LogP3.60
Rot. Bonds8

About N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide

N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide (PubChem CID 129034613) has the molecular formula C18H20F3NO3S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide
PubChem CID129034613
Molecular FormulaC18H20F3NO3S
Molecular Weight387.42 g/mol
Exact Mass387.11
IUPAC NameN-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide
SMILESCCC[C@H](CCO)NS(=O)(=O)c1ccc(-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C18H20F3NO3S/c1-2-3-14(8-9-23)22-26(24,25)15-6-4-12(5-7-15)18-16(20)10-13(19)11-17(18)21/h4-7,10-11,14,22-23H,2-3,8-9H2,1H3/t14-/m1/s1
InChIKeyUGDGKGUYSKEJJL-CQSZACIVSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-4-yl-4-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 166804772
4-(2,4-difluorophenyl)-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254013
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
3-(ethylaminomethyl)-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 106055487
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
CID 115755168
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide (CID 129034613) is N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide is CCC[C@H](CCO)NS(=O)(=O)c1ccc(-c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide?
The InChIKey is UGDGKGUYSKEJJL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20F3NO3S/c1-2-3-14(8-9-23)22-26(24,25)15-6-4-12(5-7-15)18-16(20)10-13(19)11-17(18)21/h4-7,10-11,14,22-23H,2-3,8-9H2,1H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide?
N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 129034613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).