N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide

C17H22N2O5S2 — CID 4919364

IUPACN-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S2/c1-13-5-4-6-14(2)17(13)19-26(22,23)16-9-7-15(8-10-16)24-12-11-18-25(3,20)21/h4-10,18-19H,11-12H2,1-3H3
InChIKeySIYSKIUBEJEFHQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.03
Rot. Bonds8

About N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide

N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide (PubChem CID 4919364) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide
PubChem CID4919364
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S2/c1-13-5-4-6-14(2)17(13)19-26(22,23)16-9-7-15(8-10-16)24-12-11-18-25(3,20)21/h4-10,18-19H,11-12H2,1-3H3
InChIKeySIYSKIUBEJEFHQ-UHFFFAOYSA-N
XLogP2.03
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919375
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 900631
2-[4-[(4-Methylphenyl)sulfamoyl]phenoxy]acetamide
CID 2301999
3-[(benzylsulfonyl)amino]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 2914908
N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 118707082
4-methoxy-N-(4-methoxy-2,6-dimethylphenyl)benzenesulfonamide
CID 118707084
N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
CID 118707173
N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 825631
N-(2-methylphenyl)-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 1811220

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide (CID 4919364) is N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide?
The InChIKey is SIYSKIUBEJEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-13-5-4-6-14(2)17(13)19-26(22,23)16-9-7-15(8-10-16)24-12-11-18-25(3,20)21/h4-10,18-19H,11-12H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide?
N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[2-(methanesulfonamido)ethoxy]benzenesulfonamide is sourced from PubChem (CID 4919364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).