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

C22H23NO4S — CID 35295897

IUPACN-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO4S/c1-26-16-17-27-20-12-14-21(15-13-20)28(24,25)23-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16-17H2,1H3
InChIKeyYZUNBPOXQKNEJV-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.78
Rot. Bonds9

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

N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 35295897) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID35295897
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO4S/c1-26-16-17-27-20-12-14-21(15-13-20)28(24,25)23-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16-17H2,1H3
InChIKeyYZUNBPOXQKNEJV-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.78
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

N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
CID 51961571
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
N-(2-methoxyethyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4548292
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
methyl 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetate
CID 139640725

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide (CID 35295897) is N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is YZUNBPOXQKNEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-26-16-17-27-20-12-14-21(15-13-20)28(24,25)23-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16-17H2,1H3.
What are the key properties of N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide?
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 35295897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).