N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide

C14H21NO3S — CID 847796

IUPACN-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-11-10-13(8-9-14(11)18-2)19(16,17)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyOCDCZINIWUEMFY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.61
Rot. Bonds4

About N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide

N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 847796) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide
PubChem CID847796
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-11-10-13(8-9-14(11)18-2)19(16,17)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyOCDCZINIWUEMFY-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide;hydrochloride
CID 117949685
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide (CID 847796) is N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is OCDCZINIWUEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-10-13(8-9-14(11)18-2)19(16,17)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide?
N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 847796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).