N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide

C21H27FN2O4S2 — CID 59231321

IUPACN-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H27FN2O4S2/c1-2-29(25,26)24-19-7-3-16(4-8-19)15-23-18-9-13-21(14-10-18)30(27,28)20-11-5-17(22)6-12-20/h5-6,9-14,16,19,23-24H,2-4,7-8,15H2,1H3
InChIKeyFSNLLVMVAYIEKG-UHFFFAOYSA-N
MW454.59 g/mol
LogP3.57
Rot. Bonds8

About N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide

N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide (PubChem CID 59231321) has the molecular formula C21H27FN2O4S2 and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide
PubChem CID59231321
Molecular FormulaC21H27FN2O4S2
Molecular Weight454.59 g/mol
Exact Mass454.14
IUPAC NameN-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H27FN2O4S2/c1-2-29(25,26)24-19-7-3-16(4-8-19)15-23-18-9-13-21(14-10-18)30(27,28)20-11-5-17(22)6-12-20/h5-6,9-14,16,19,23-24H,2-4,7-8,15H2,1H3
InChIKeyFSNLLVMVAYIEKG-UHFFFAOYSA-N
XLogP3.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8626
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N-[4-[2-[2-[4-(methanesulfonamido)phenyl]sulfanylethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645106
N-(2-methylpropyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90200534
4-[[benzyl(propyl)amino]methyl]-N-[2-(4-ethylsulfonylphenyl)ethyl]aniline
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4-[2-(4-Tert-butylphenyl)sulfonylethylamino]benzenesulfonamide
CID 44408887
N-[[4-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 71612548
N-[[4-[[(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659488
4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzenesulfonamide
CID 7216466
4-((1,1-dioxidotetrahydrothio-phen-3-yl)amino)-N-(4-ethylphenyl)-N-isobuytl-3-(S-methylsulfonimidoyl) benzenesulfonamide
CID 121429357
Baludon
CID 79750

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide (CID 59231321) is N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is FSNLLVMVAYIEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S2/c1-2-29(25,26)24-19-7-3-16(4-8-19)15-23-18-9-13-21(14-10-18)30(27,28)20-11-5-17(22)6-12-20/h5-6,9-14,16,19,23-24H,2-4,7-8,15H2,1H3.
What are the key properties of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide?
N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 454.59 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 59231321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).