N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide

C23H41N3O5S2 — CID 18714009

IUPACN-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(C)NS(=O)(=O)NCCc1ccc(C2(O)CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H41N3O5S2/c1-17(2)26-33(30,31)24-15-12-20-6-8-22(9-7-20)23(27)13-10-21(11-14-23)19(5)16-25-32(28,29)18(3)4/h6-9,17-19,21,24-27H,10-16H2,1-5H3
InChIKeyXQOKTWYGYHGGBC-UHFFFAOYSA-N
MW503.73 g/mol
LogP2.40
Rot. Bonds12

About N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide

N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide (PubChem CID 18714009) has the molecular formula C23H41N3O5S2 and a molecular weight of 503.73 g/mol. Its IUPAC name is N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
PubChem CID18714009
Molecular FormulaC23H41N3O5S2
Molecular Weight503.73 g/mol
Exact Mass503.25
IUPAC NameN-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(C)NS(=O)(=O)NCCc1ccc(C2(O)CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H41N3O5S2/c1-17(2)26-33(30,31)24-15-12-20-6-8-22(9-7-20)23(27)13-10-21(11-14-23)19(5)16-25-32(28,29)18(3)4/h6-9,17-19,21,24-27H,10-16H2,1-5H3
InChIKeyXQOKTWYGYHGGBC-UHFFFAOYSA-N
XLogP2.40
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.73
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
CID 18714018
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713954
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992
N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide
CID 10300412
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide (CID 18714009) is N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide is CC(C)NS(=O)(=O)NCCc1ccc(C2(O)CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
The InChIKey is XQOKTWYGYHGGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O5S2/c1-17(2)26-33(30,31)24-15-12-20-6-8-22(9-7-20)23(27)13-10-21(11-14-23)19(5)16-25-32(28,29)18(3)4/h6-9,17-19,21,24-27H,10-16H2,1-5H3.
What are the key properties of N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide has a molecular weight of 503.73 g/mol, XLogP of 2.40, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18714009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).