N-benzyl-2,5-diethoxybenzenesulfonamide

C17H21NO4S — CID 775818

IUPACN-benzyl-2,5-diethoxybenzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H21NO4S/c1-3-21-15-10-11-16(22-4-2)17(12-15)23(19,20)18-13-14-8-6-5-7-9-14/h5-12,18H,3-4,13H2,1-2H3
InChIKeyHMBAJFCJKSNTMH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.96
Rot. Bonds8

About N-benzyl-2,5-diethoxybenzenesulfonamide

N-benzyl-2,5-diethoxybenzenesulfonamide (PubChem CID 775818) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-benzyl-2,5-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,5-diethoxybenzenesulfonamide
PubChem CID775818
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-benzyl-2,5-diethoxybenzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H21NO4S/c1-3-21-15-10-11-16(22-4-2)17(12-15)23(19,20)18-13-14-8-6-5-7-9-14/h5-12,18H,3-4,13H2,1-2H3
InChIKeyHMBAJFCJKSNTMH-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide;hydrochloride
CID 117949685
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-(4-methylbenzyl)benzenesulfonamide
CID 743491
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351
2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 648432
N-benzyl-4-fluoro-3-methoxybenzenesulfonamide
CID 700246
N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768866

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-diethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-2,5-diethoxybenzenesulfonamide (CID 775818) is N-benzyl-2,5-diethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,5-diethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-2,5-diethoxybenzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2,5-diethoxybenzenesulfonamide?
The InChIKey is HMBAJFCJKSNTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-3-21-15-10-11-16(22-4-2)17(12-15)23(19,20)18-13-14-8-6-5-7-9-14/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of N-benzyl-2,5-diethoxybenzenesulfonamide?
N-benzyl-2,5-diethoxybenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-diethoxybenzenesulfonamide is sourced from PubChem (CID 775818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).