2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide

C16H25NO3S — CID 2984852

IUPAC2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C16H25NO3S/c1-11-7-5-6-8-14(11)17-21(18,19)16-10-13(3)12(2)9-15(16)20-4/h9-11,14,17H,5-8H2,1-4H3
InChIKeyLOJJBNSAYUZLPN-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.17
Rot. Bonds4

About 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide

2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 2984852) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID2984852
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C16H25NO3S/c1-11-7-5-6-8-14(11)17-21(18,19)16-10-13(3)12(2)9-15(16)20-4/h9-11,14,17H,5-8H2,1-4H3
InChIKeyLOJJBNSAYUZLPN-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986113
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 2984852) is 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is LOJJBNSAYUZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-7-5-6-8-14(11)17-21(18,19)16-10-13(3)12(2)9-15(16)20-4/h9-11,14,17H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 2984852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).