cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide

C12H16FNO2S — CID 159193421

IUPACcis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h4-7,10,12H,1-3,8H2,(H2,14,15,16)/t10-,12+/m0/s1
InChIKeyRRXGYDNASFXDBI-CMPLNLGQSA-N
MW257.33 g/mol
LogP2.14
Rot. Bonds2

About cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide

cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide (PubChem CID 159193421) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide
PubChem CID159193421
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Namecis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h4-7,10,12H,1-3,8H2,(H2,14,15,16)/t10-,12+/m0/s1
InChIKeyRRXGYDNASFXDBI-CMPLNLGQSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide?
The IUPAC name of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide (CID 159193421) is cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide.
What is the SMILES notation for cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide?
The canonical SMILES for cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide is NS(=O)(=O)[C@@H]1CCC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide?
The InChIKey is RRXGYDNASFXDBI-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16FNO2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h4-7,10,12H,1-3,8H2,(H2,14,15,16)/t10-,12+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide?
cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 159193421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).