2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide

C23H36N4O4S2 — CID 156543470

IUPAC2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide
SMILESCc1nc(SCC(C)(C)O)n(C)c1-c1ccc(N(C)C)c(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C23H36N4O4S2/c1-15-21(27(6)22(24-15)32-14-23(2,3)29)16-7-12-19(26(4)5)20(13-16)33(30,31)25-17-8-10-18(28)11-9-17/h7,12-13,17-18,25,28-29H,8-11,14H2,1-6H3
InChIKeyYSCYCXLCXVLIKO-UHFFFAOYSA-N
MW496.70 g/mol
LogP2.91
Rot. Bonds8

About 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide

2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide (PubChem CID 156543470) has the molecular formula C23H36N4O4S2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide
PubChem CID156543470
Molecular FormulaC23H36N4O4S2
Molecular Weight496.70 g/mol
Exact Mass496.22
IUPAC Name2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide
SMILESCc1nc(SCC(C)(C)O)n(C)c1-c1ccc(N(C)C)c(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C23H36N4O4S2/c1-15-21(27(6)22(24-15)32-14-23(2,3)29)16-7-12-19(26(4)5)20(13-16)33(30,31)25-17-8-10-18(28)11-9-17/h7,12-13,17-18,25,28-29H,8-11,14H2,1-6H3
InChIKeyYSCYCXLCXVLIKO-UHFFFAOYSA-N
XLogP2.91
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.70
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide (CID 156543470) is 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide is Cc1nc(SCC(C)(C)O)n(C)c1-c1ccc(N(C)C)c(S(=O)(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide?
The InChIKey is YSCYCXLCXVLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4S2/c1-15-21(27(6)22(24-15)32-14-23(2,3)29)16-7-12-19(26(4)5)20(13-16)33(30,31)25-17-8-10-18(28)11-9-17/h7,12-13,17-18,25,28-29H,8-11,14H2,1-6H3.
What are the key properties of 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide?
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide has a molecular weight of 496.70 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 156543470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).