4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H24N2O3S — CID 64910626

IUPAC4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC2CCCCC2O)cc1
InChIInChI=1S/C15H24N2O3S/c1-17(2)21(19,20)14-9-7-13(8-10-14)16-11-12-5-3-4-6-15(12)18/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyCGZBXOWVRPRKBQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.90
Rot. Bonds5

About 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide

4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 64910626) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID64910626
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC2CCCCC2O)cc1
InChIInChI=1S/C15H24N2O3S/c1-17(2)21(19,20)14-9-7-13(8-10-14)16-11-12-5-3-4-6-15(12)18/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyCGZBXOWVRPRKBQ-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106125831
2-[(4-aminoanilino)methyl]cyclohexan-1-ol
CID 64930000
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 64911456
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 64910626) is 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCC2CCCCC2O)cc1.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CGZBXOWVRPRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(2)21(19,20)14-9-7-13(8-10-14)16-11-12-5-3-4-6-15(12)18/h7-10,12,15-16,18H,3-6,11H2,1-2H3.
What are the key properties of 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 64910626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).