N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide

C15H17NO4S — CID 39874629

IUPACN-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO4S/c1-19-11-12-20-14-9-7-13(8-10-14)16-21(17,18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyOZFZHLOQAPRBQE-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.51
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide

N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide (PubChem CID 39874629) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
PubChem CID39874629
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO4S/c1-19-11-12-20-14-9-7-13(8-10-14)16-21(17,18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyOZFZHLOQAPRBQE-UHFFFAOYSA-N
XLogP2.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.51
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-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
2-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68688879
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519063
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 11540637
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide (CID 39874629) is N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide is COCCOc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide?
The InChIKey is OZFZHLOQAPRBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-11-12-20-14-9-7-13(8-10-14)16-21(17,18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3.
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide?
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 39874629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).