N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide

C18H23NO4S — CID 9055836

IUPACN-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1OCC
InChIInChI=1S/C18H23NO4S/c1-5-22-17-11-10-15(12-18(17)23-6-2)24(20,21)19-16-9-7-8-13(3)14(16)4/h7-12,19H,5-6H2,1-4H3
InChIKeyBPZKXVIEHJJFBH-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.90
Rot. Bonds7

About N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide

N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide (PubChem CID 9055836) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
PubChem CID9055836
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1OCC
InChIInChI=1S/C18H23NO4S/c1-5-22-17-11-10-15(12-18(17)23-6-2)24(20,21)19-16-9-7-8-13(3)14(16)4/h7-12,19H,5-6H2,1-4H3
InChIKeyBPZKXVIEHJJFBH-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-diethoxy-N-(1H-indazol-7-yl)benzenesulfonamide
CID 24654006
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide
CID 18272105

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide (CID 9055836) is N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1OCC.
What is the InChIKey of N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide?
The InChIKey is BPZKXVIEHJJFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-22-17-11-10-15(12-18(17)23-6-2)24(20,21)19-16-9-7-8-13(3)14(16)4/h7-12,19H,5-6H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide?
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 9055836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).