N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide

C15H22FNO3S — CID 68543368

IUPACN-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@H](CO)CC1CCCCC1)c1ccccc1F
InChIInChI=1S/C15H22FNO3S/c16-14-8-4-5-9-15(14)21(19,20)17-13(11-18)10-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/t13-/m0/s1
InChIKeyAQMKOTLAJKCJTD-ZDUSSCGKSA-N
MW315.41 g/mol
LogP2.44
Rot. Bonds6

About N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide

N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 68543368) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID68543368
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@H](CO)CC1CCCCC1)c1ccccc1F
InChIInChI=1S/C15H22FNO3S/c16-14-8-4-5-9-15(14)21(19,20)17-13(11-18)10-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/t13-/m0/s1
InChIKeyAQMKOTLAJKCJTD-ZDUSSCGKSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide (CID 68543368) is N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide is O=S(=O)(N[C@H](CO)CC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is AQMKOTLAJKCJTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22FNO3S/c16-14-8-4-5-9-15(14)21(19,20)17-13(11-18)10-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/t13-/m0/s1.
What are the key properties of N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 68543368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).