4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide

C18H20F2N2O4S2 — CID 2975212

IUPAC4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O4S2/c19-13-5-9-15(10-6-13)27(23,24)21-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(20)8-12-16/h5-12,17-18,21-22H,1-4H2
InChIKeyHCBUFVLQTOCRFR-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.53
Rot. Bonds6

About 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide

4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide (PubChem CID 2975212) has the molecular formula C18H20F2N2O4S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
PubChem CID2975212
Molecular FormulaC18H20F2N2O4S2
Molecular Weight430.50 g/mol
Exact Mass430.08
IUPAC Name4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O4S2/c19-13-5-9-15(10-6-13)27(23,24)21-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(20)8-12-16/h5-12,17-18,21-22H,1-4H2
InChIKeyHCBUFVLQTOCRFR-UHFFFAOYSA-N
XLogP2.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
CID 2198514
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784690

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide (CID 2975212) is 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The InChIKey is HCBUFVLQTOCRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S2/c19-13-5-9-15(10-6-13)27(23,24)21-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(20)8-12-16/h5-12,17-18,21-22H,1-4H2.
What are the key properties of 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide has a molecular weight of 430.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2975212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).