5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide

C11H16ClNO4S — CID 110758467

IUPAC5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(Cl)cc(C)c1OC
InChIInChI=1S/C11H16ClNO4S/c1-8-6-9(12)7-10(11(8)17-3)18(14,15)13-4-5-16-2/h6-7,13H,4-5H2,1-3H3
InChIKeyWUUNSOCUBGFMHI-UHFFFAOYSA-N
MW293.77 g/mol
LogP1.58
Rot. Bonds6

About 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide

5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide (PubChem CID 110758467) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
PubChem CID110758467
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(Cl)cc(C)c1OC
InChIInChI=1S/C11H16ClNO4S/c1-8-6-9(12)7-10(11(8)17-3)18(14,15)13-4-5-16-2/h6-7,13H,4-5H2,1-3H3
InChIKeyWUUNSOCUBGFMHI-UHFFFAOYSA-N
XLogP1.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 51.58
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-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879383
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide (CID 110758467) is 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide is COCCNS(=O)(=O)c1cc(Cl)cc(C)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is WUUNSOCUBGFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-8-6-9(12)7-10(11(8)17-3)18(14,15)13-4-5-16-2/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 293.77 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 110758467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).