N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide

C25H35NO4S2 — CID 159676905

IUPACN-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H35NO4S2/c1-25(2,3)31(27,28)19-22-13-11-20(12-14-22)9-10-21-15-17-23(18-16-21)26-32(29,30)24-7-5-4-6-8-24/h4-8,15-18,20,22,26H,9-14,19H2,1-3H3
InChIKeyVTQJYIVCISGVLN-UHFFFAOYSA-N
MW477.69 g/mol
LogP5.44
Rot. Bonds8

About N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide

N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide (PubChem CID 159676905) has the molecular formula C25H35NO4S2 and a molecular weight of 477.69 g/mol. Its IUPAC name is N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide
PubChem CID159676905
Molecular FormulaC25H35NO4S2
Molecular Weight477.69 g/mol
Exact Mass477.20
IUPAC NameN-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H35NO4S2/c1-25(2,3)31(27,28)19-22-13-11-20(12-14-22)9-10-21-15-17-23(18-16-21)26-32(29,30)24-7-5-4-6-8-24/h4-8,15-18,20,22,26H,9-14,19H2,1-3H3
InChIKeyVTQJYIVCISGVLN-UHFFFAOYSA-N
XLogP5.44
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.69
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159436569
3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]aniline
CID 159572210
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide
CID 59545980
N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide
CID 143022071
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 59546358
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 58143733
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 67419833
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide (CID 159676905) is N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide is CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide?
The InChIKey is VTQJYIVCISGVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4S2/c1-25(2,3)31(27,28)19-22-13-11-20(12-14-22)9-10-21-15-17-23(18-16-21)26-32(29,30)24-7-5-4-6-8-24/h4-8,15-18,20,22,26H,9-14,19H2,1-3H3.
What are the key properties of N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide?
N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide has a molecular weight of 477.69 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 159676905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).