N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide

C22H36N2O5S2 — CID 18714018

IUPACN-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
SMILESC=CS(=O)(=O)NCCc1ccc(C2(O)CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C22H36N2O5S2/c1-5-30(26,27)23-15-12-19-6-8-21(9-7-19)22(25)13-10-20(11-14-22)18(4)16-24-31(28,29)17(2)3/h5-9,17-18,20,23-25H,1,10-16H2,2-4H3
InChIKeyPEQNCUHCNSPBKP-UHFFFAOYSA-N
MW472.67 g/mol
LogP2.63
Rot. Bonds11

About N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide

N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide (PubChem CID 18714018) has the molecular formula C22H36N2O5S2 and a molecular weight of 472.67 g/mol. Its IUPAC name is N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
PubChem CID18714018
Molecular FormulaC22H36N2O5S2
Molecular Weight472.67 g/mol
Exact Mass472.21
IUPAC NameN-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
SMILESC=CS(=O)(=O)NCCc1ccc(C2(O)CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C22H36N2O5S2/c1-5-30(26,27)23-15-12-19-6-8-21(9-7-19)22(25)13-10-20(11-14-22)18(4)16-24-31(28,29)17(2)3/h5-9,17-18,20,23-25H,1,10-16H2,2-4H3
InChIKeyPEQNCUHCNSPBKP-UHFFFAOYSA-N
XLogP2.63
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
CID 18713899
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713954
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090466
N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide
CID 10300412
N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713914
N-[2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexen-1-yl]phenyl]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18713949
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide (CID 18714018) is N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide is C=CS(=O)(=O)NCCc1ccc(C2(O)CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide?
The InChIKey is PEQNCUHCNSPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O5S2/c1-5-30(26,27)23-15-12-19-6-8-21(9-7-19)22(25)13-10-20(11-14-22)18(4)16-24-31(28,29)17(2)3/h5-9,17-18,20,23-25H,1,10-16H2,2-4H3.
What are the key properties of N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide?
N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide has a molecular weight of 472.67 g/mol, XLogP of 2.63, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18714018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).