4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide

C21H27NO4S — CID 46406704

IUPAC4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO4S/c1-25-15-16-26-20-11-13-21(14-12-20)27(23,24)22-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-14,18-19,22H,7-10,15-16H2,1H3
InChIKeyBFKCYJLEDVUNKK-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.72
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide (PubChem CID 46406704) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
PubChem CID46406704
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO4S/c1-25-15-16-26-20-11-13-21(14-12-20)27(23,24)22-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-14,18-19,22H,7-10,15-16H2,1H3
InChIKeyBFKCYJLEDVUNKK-UHFFFAOYSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
CID 56502746
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
CID 19693936

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide (CID 46406704) is 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide?
The InChIKey is BFKCYJLEDVUNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-25-15-16-26-20-11-13-21(14-12-20)27(23,24)22-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-14,18-19,22H,7-10,15-16H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 46406704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).