N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide

C23H25F5N2O4S2 — CID 10053334

IUPACN-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1
InChIInChI=1S/C23H25F5N2O4S2/c24-17-5-8-21(25)20(15-17)22(35(31,32)19-6-3-16(4-7-19)23(26,27)28)11-9-18(10-12-22)29-36(33,34)30-13-1-2-14-30/h3-8,15,18,29H,1-2,9-14H2
InChIKeyVHZNYBONFMYTTC-UHFFFAOYSA-N
MW552.59 g/mol
LogP4.53
Rot. Bonds6

About N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide

N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide (PubChem CID 10053334) has the molecular formula C23H25F5N2O4S2 and a molecular weight of 552.59 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide
PubChem CID10053334
Molecular FormulaC23H25F5N2O4S2
Molecular Weight552.59 g/mol
Exact Mass552.12
IUPAC NameN-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1
InChIInChI=1S/C23H25F5N2O4S2/c24-17-5-8-21(25)20(15-17)22(35(31,32)19-6-3-16(4-7-19)23(26,27)28)11-9-18(10-12-22)29-36(33,34)30-13-1-2-14-30/h3-8,15,18,29H,1-2,9-14H2
InChIKeyVHZNYBONFMYTTC-UHFFFAOYSA-N
XLogP4.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-difluorophenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexyl]pyrrolidine-1-sulfonamide
CID 21048994
N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-morpholin-4-ylethanesulfonamide
CID 70321857
N-[4-(2,5-difluorophenyl)-4-(4-isocyanophenyl)sulfonylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 20781255
(4aR,6R,8aS)-6-(2,5-difluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,3,4,4a,5,7,8,8a-octahydrobenzo[c]thiazine 2,2-dioxide
CID 59676649
N-[(1R,2S,4S)-2-(bromomethyl)-4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanesulfonamide
CID 11570637
N-[(1R,4S)-2-(bromomethyl)-4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanesulfonamide
CID 134939322
2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide
CID 22485770
7-(2,5-difluorophenyl)-1-prop-2-enyl-7-[4-(trifluoromethyl)phenyl]sulfonyl-5,5a,6,8,9,9a-hexahydro-4H-benzo[e][1,2,7]oxathiazepine
CID 142966893
[(1R,2R,4R)-2-(2-chlorosulfonylethyl)-4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl] methanesulfonate
CID 59676648
3-bromo-N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]thiophene-2-sulfonamide
CID 20781244
1,4-difluoro-2-[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3-(trifluoromethylsulfonylmethyl)cyclobutyl]benzene
CID 58150200
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexane-1-carbonitrile
CID 23590944

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide (CID 10053334) is N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide is O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide?
The InChIKey is VHZNYBONFMYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5N2O4S2/c24-17-5-8-21(25)20(15-17)22(35(31,32)19-6-3-16(4-7-19)23(26,27)28)11-9-18(10-12-22)29-36(33,34)30-13-1-2-14-30/h3-8,15,18,29H,1-2,9-14H2.
What are the key properties of N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide?
N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide has a molecular weight of 552.59 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 10053334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).