N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide

C24H34N4O4S4 — CID 58915457

IUPACN-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(SSc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3N)cc2)cc1
InChIInChI=1S/C24H34N4O4S4/c25-21-5-1-3-7-23(21)27-35(29,30)19-13-9-17(10-14-19)33-34-18-11-15-20(16-12-18)36(31,32)28-24-8-4-2-6-22(24)26/h9-16,21-24,27-28H,1-8,25-26H2/t21-,22+,23-,24+
InChIKeyUKFVFOQHNFJSDO-WAPCQROESA-N
MW570.83 g/mol
LogP3.58
Rot. Bonds9

About N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide (PubChem CID 58915457) has the molecular formula C24H34N4O4S4 and a molecular weight of 570.83 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
PubChem CID58915457
Molecular FormulaC24H34N4O4S4
Molecular Weight570.83 g/mol
Exact Mass570.15
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(SSc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3N)cc2)cc1
InChIInChI=1S/C24H34N4O4S4/c25-21-5-1-3-7-23(21)27-35(29,30)19-13-9-17(10-14-19)33-34-18-11-15-20(16-12-18)36(31,32)28-24-8-4-2-6-22(24)26/h9-16,21-24,27-28H,1-8,25-26H2/t21-,22+,23-,24+
InChIKeyUKFVFOQHNFJSDO-WAPCQROESA-N
XLogP3.58
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.83
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756
N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide
CID 63252038
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide (CID 58915457) is N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide is N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(SSc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3N)cc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide?
The InChIKey is UKFVFOQHNFJSDO-WAPCQROESA-N. The full InChI is InChI=1S/C24H34N4O4S4/c25-21-5-1-3-7-23(21)27-35(29,30)19-13-9-17(10-14-19)33-34-18-11-15-20(16-12-18)36(31,32)28-24-8-4-2-6-22(24)26/h9-16,21-24,27-28H,1-8,25-26H2/t21-,22+,23-,24+.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide has a molecular weight of 570.83 g/mol, XLogP of 3.58, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide is sourced from PubChem (CID 58915457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).