N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide

C16H23NO3S — CID 967893

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H23NO3S/c1-13-8-9-15(20-2)16(12-13)21(18,19)17-11-10-14-6-4-3-5-7-14/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3
InChIKeySGVXFRJVQIBJGJ-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 967893) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID967893
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H23NO3S/c1-13-8-9-15(20-2)16(12-13)21(18,19)17-11-10-14-6-4-3-5-7-14/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3
InChIKeySGVXFRJVQIBJGJ-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
(2E)-3-[3-(benzylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
CID 681547
5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
CID 10060387

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide (CID 967893) is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is SGVXFRJVQIBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-13-8-9-15(20-2)16(12-13)21(18,19)17-11-10-14-6-4-3-5-7-14/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 967893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).