N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide

C15H23NO4S — CID 6464098

IUPACN-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2)c(OC)cc1C
InChIInChI=1S/C15H23NO4S/c1-11-9-14(20-3)15(10-13(11)19-2)21(17,18)16-12-7-5-4-6-8-12/h9-10,12,16H,4-8H2,1-3H3
InChIKeyQLDOWIPVHWXYGH-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.62
Rot. Bonds5

About N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide

N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide (PubChem CID 6464098) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
PubChem CID6464098
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2)c(OC)cc1C
InChIInChI=1S/C15H23NO4S/c1-11-9-14(20-3)15(10-13(11)19-2)21(17,18)16-12-7-5-4-6-8-12/h9-10,12,16H,4-8H2,1-3H3
InChIKeyQLDOWIPVHWXYGH-UHFFFAOYSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
CID 110758716
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566208
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide (CID 6464098) is N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCC2)c(OC)cc1C.
What is the InChIKey of N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The InChIKey is QLDOWIPVHWXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-9-14(20-3)15(10-13(11)19-2)21(17,18)16-12-7-5-4-6-8-12/h9-10,12,16H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 6464098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).